4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide

C19H22N4O — CID 119854404

IUPAC4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
SMILESCCCCc1nc2ccc(NC(=O)c3ccc(CN)cc3)cc2[nH]1
InChIInChI=1S/C19H22N4O/c1-2-3-4-18-22-16-10-9-15(11-17(16)23-18)21-19(24)14-7-5-13(12-20)6-8-14/h5-11H,2-4,12,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyAWYGQJNXUCOVFF-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.62
Rot. Bonds6

About 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide

4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide (PubChem CID 119854404) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
PubChem CID119854404
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
SMILESCCCCc1nc2ccc(NC(=O)c3ccc(CN)cc3)cc2[nH]1
InChIInChI=1S/C19H22N4O/c1-2-3-4-18-22-16-10-9-15(11-17(16)23-18)21-19(24)14-7-5-13(12-20)6-8-14/h5-11H,2-4,12,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyAWYGQJNXUCOVFF-UHFFFAOYSA-N
XLogP3.62
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-butyl-3H-benzimidazol-5-yl)acetamide;dihydrochloride
CID 119854415
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472
3-amino-N-(2-butyl-3H-benzimidazol-5-yl)-2-methylbutanamide;dihydrochloride
CID 120503091
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
4-(diethylamino)-N-[2-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazol-5-yl]benzamide
CID 139827149
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
N-(4-fluorophenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789623
N-(3-methylsulfanylphenyl)-2-[2-[4-(propanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789523
(2R)-2-amino-3-[(2-butyl-3H-benzimidazol-5-yl)amino]-2-[(3-cyanophenyl)methyl]-3-oxopropanoic acid
CID 154504002
2-pentadecyl-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 158269764
4-nitro-N-[2-[6-[(4-nitrobenzoyl)amino]-1H-benzimidazol-2-yl]ethyl]benzamide
CID 139827225

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide (CID 119854404) is 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide is CCCCc1nc2ccc(NC(=O)c3ccc(CN)cc3)cc2[nH]1.
What is the InChIKey of 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide?
The InChIKey is AWYGQJNXUCOVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-3-4-18-22-16-10-9-15(11-17(16)23-18)21-19(24)14-7-5-13(12-20)6-8-14/h5-11H,2-4,12,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide?
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide has a molecular weight of 322.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide is sourced from PubChem (CID 119854404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).