4-(Hydroxymethyl)benzimidazole - CAS 65658-13-1

Catalog:	BB032787
Product Name:	4-(Hydroxymethyl)benzimidazole
CAS:	65658-13-1
Synonyms:	1H-benzimidazol-4-ylmethanol; 1H-benzimidazol-4-ylmethanol

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Computed Properties

IUPAC Name:	1H-benzimidazol-4-ylmethanol
Description:	4-(Hydroxymethyl)benzimidazole (CAS# 65658-13-1) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C8H8N2O
Canonical SMILES:	C1=CC(=C2C(=C1)NC=N2)CO
InChI:	InChI=1S/C8H8N2O/c11-4-6-2-1-3-7-8(6)10-5-9-7/h1-3,5,11H,4H2,(H,9,10)
InChI Key:	VTZPQNFDQVNJAD-UHFFFAOYSA-N
Boiling Point:	469.534 °C at 760 mmHg
Density:	1.36 g/cm³
LogP:	1.05520

Publication Number	Title	Priority Date
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
WO-2020210649-A1	Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20190412
TW-202103708-A	Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors	20190412
CA-3019662-A1	Compositions and methods for treating disorders of circadian and diurnal rhythms using prokineticin 2 agonists and antagonists	20160406
EP-3439652-A1	Compositions and methods for treating disorders of circadian and diurnal rhythms using prokineticin 2 agonists and antagonists	20160406

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	140
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.063662883
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	148.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6