2-Propylbenzimidazole - CAS 5465-29-2

Catalog:	BB028751
Product Name:	2-Propylbenzimidazole
CAS:	5465-29-2
Synonyms:	2-propyl-1H-benzimidazole; 2-propyl-1H-benzimidazole

Technical Data

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Computed Properties

IUPAC Name:	2-propyl-1H-benzimidazole
Description:	2-Propylbenzimidazole (CAS# 5465-29-2) is a reagent used in the synthesis of novel benzimidazole analogs.
Molecular Weight:	160.22
Molecular Formula:	C10H12N2
Canonical SMILES:	CCCC1=NC2=CC=CC=C2N1
InChI:	InChI=1S/C10H12N2/c1-2-5-10-11-8-6-3-4-7-9(8)12-10/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChI Key:	FBLJZPQLNMVEMR-UHFFFAOYSA-N
Boiling Point:	348.8 °C at 760 mmHg
Density:	1.109 g/cm³
MDL:	MFCD00087477
LogP:	2.51540

Publication Number	Title	Priority Date
CN-113512038-A	Benzo [4,5] imidazo [1,2-a ] pyridine derivative and preparation method and application thereof	20210720
CN-111471016-A	Synthesis method of 2-propylimidazole-4, 5-dicarboxylic acid	20200417
CN-111170946-A	Synthesis method of olmesartan intermediate	20200316
CN-111455361-A	Surface treatment agent and metal surface treatment method	20200311
CN-111484800-A	Accelerator and surface treatment method	20200311

PMID	Publication Date	Title	Journal
12473196	20021201	Functions of the D-ribosyl moiety and the lower axial ligand of the nucleotide loop of coenzyme B(12) in diol dehydratase and ethanolamine ammonia-lyase reactions	Journal of biochemistry

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.100048391
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.100048391
Rotatable Bond Count:	2
Topological Polar Surface Area:	28.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5