2-(Aminomethyl)-1-methylbenzimidazole - CAS 20028-40-4

Catalog:	BB015459
Product Name:	2-(Aminomethyl)-1-methylbenzimidazole
CAS:	20028-40-4
Synonyms:	(1-methyl-2-benzimidazolyl)methanamine; (1-methylbenzimidazol-2-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(1-methylbenzimidazol-2-yl)methanamine
Description:	1-Methyl-2-benzimidazolemethanamine inhibits binding of p34 protein to NEDD4-1 protein and can be used as an anti-cancer agent. It can also be used as an HIV integrase inhibitor.
Molecular Weight:	161.20
Molecular Formula:	C9H11N3
Canonical SMILES:	CN1C2=CC=CC=C2N=C1CN
InChI:	InChI=1S/C9H11N3/c1-12-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6,10H2,1H3
InChI Key:	GFQZSGGPNZDNBC-UHFFFAOYSA-N
Boiling Point:	332.7 °C at 760 mmHg
Density:	1.22 g/cm³
Appearance:	Solid
MDL:	MFCD00457746
LogP:	1.73230

Publication Number	Title	Priority Date
AU-2018240418-A1	Chemical compounds as antibiotics	20170321
EP-3601224-A1	Chemical compounds as antibiotics	20170321
US-2020155509-A1	Chemical compounds as antibiotics	20170321
WO-2018172423-A1	Chemical compounds as antibiotics	20170321
US-11000511-B2	Chemical compounds as antibiotics	20170321

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Related Functional Groups

Benzimidazoles

[881476-28-4]
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-1,2,4-oxadiazole-5-carboxylate
[142356-64-7]
2-Amino-5-chloro-6-fluoro-1H-benzo[d]imidazole
[1508258-32-9]
(R)-tert-butyl 3-(2-amino-7-chloro-1H-benzo[d]imidazol-1-yl)azepane-1-carboxylate
[5381-79-3]
1-Methyl-6-nitrobenzimidazole
[29043-48-9]
6-Amino-2-methylbenzimidazole
[22492-14-4]
1-(4-Nitrophenyl)-1H-benzimidazole

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.095297364
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.095297364
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3