2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide

C21H24N4O — CID 167929322

IUPAC2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N[C@@H]3CCN[C@H](C)C3)ccc2n1-c1ccccc1
InChIInChI=1S/C21H24N4O/c1-14-12-17(10-11-22-14)24-21(26)16-8-9-20-19(13-16)23-15(2)25(20)18-6-4-3-5-7-18/h3-9,13-14,17,22H,10-12H2,1-2H3,(H,24,26)/t14-,17-/m1/s1
InChIKeyKGPXXFUNFFMJRB-RHSMWYFYSA-N
MW348.45 g/mol
LogP3.20
Rot. Bonds3

About 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide

2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide (PubChem CID 167929322) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide
PubChem CID167929322
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)N[C@@H]3CCN[C@H](C)C3)ccc2n1-c1ccccc1
InChIInChI=1S/C21H24N4O/c1-14-12-17(10-11-22-14)24-21(26)16-8-9-20-19(13-16)23-15(2)25(20)18-6-4-3-5-7-18/h3-9,13-14,17,22H,10-12H2,1-2H3,(H,24,26)/t14-,17-/m1/s1
InChIKeyKGPXXFUNFFMJRB-RHSMWYFYSA-N
XLogP3.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 95761729
N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
CID 60600851
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
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N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 119615452
N-(2-methylpiperidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 106995338
3-bromo-N-(2-methylpiperidin-4-yl)benzamide
CID 106995558
6-methyl-1-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122113357
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CID 40723784
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide (CID 167929322) is 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)N[C@@H]3CCN[C@H](C)C3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is KGPXXFUNFFMJRB-RHSMWYFYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-12-17(10-11-22-14)24-21(26)16-8-9-20-19(13-16)23-15(2)25(20)18-6-4-3-5-7-18/h3-9,13-14,17,22H,10-12H2,1-2H3,(H,24,26)/t14-,17-/m1/s1.
What are the key properties of 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide?
2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 167929322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).