N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide

C28H30N4O3 — CID 46864706

IUPACN-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide
SMILESCOc1ccc(C(=O)N(C)C(CCNC(=O)c2nc3ccccc3n2C)Cc2ccccc2)cc1
InChIInChI=1S/C28H30N4O3/c1-31(28(34)21-13-15-23(35-3)16-14-21)22(19-20-9-5-4-6-10-20)17-18-29-27(33)26-30-24-11-7-8-12-25(24)32(26)2/h4-16,22H,17-19H2,1-3H3,(H,29,33)
InChIKeyBFLHPMJRUSEELX-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.09
Rot. Bonds9

About N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide

N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide (PubChem CID 46864706) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide
PubChem CID46864706
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide
SMILESCOc1ccc(C(=O)N(C)C(CCNC(=O)c2nc3ccccc3n2C)Cc2ccccc2)cc1
InChIInChI=1S/C28H30N4O3/c1-31(28(34)21-13-15-23(35-3)16-14-21)22(19-20-9-5-4-6-10-20)17-18-29-27(33)26-30-24-11-7-8-12-25(24)32(26)2/h4-16,22H,17-19H2,1-3H3,(H,29,33)
InChIKeyBFLHPMJRUSEELX-UHFFFAOYSA-N
XLogP4.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide
CID 67247612
N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 59475160
N-[(3S)-3-[1,3-benzodioxole-5-carbonyl(methyl)amino]-4-phenylbutyl]-1-methylindole-2-carboxamide
CID 59475148
N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864752
N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide
CID 46864663
5-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1H-indazole-3-carboxamide
CID 67247491
7-methoxy-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]isoquinoline-4-carboxamide
CID 67247091
N-[1-(benzotriazol-1-yl)-2-phenylethyl]-4-methoxybenzamide
CID 3405892
N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
CID 110469008
6-methoxy-N,2-dimethyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]quinoline-8-carboxamide
CID 67247731
6-methyl-N-[3-[methyl(quinoxaline-6-carbonyl)amino]-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67248601
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide?
The IUPAC name of N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide (CID 46864706) is N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide.
What is the SMILES notation for N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide?
The canonical SMILES for N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide is COc1ccc(C(=O)N(C)C(CCNC(=O)c2nc3ccccc3n2C)Cc2ccccc2)cc1.
What is the InChIKey of N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide?
The InChIKey is BFLHPMJRUSEELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-31(28(34)21-13-15-23(35-3)16-14-21)22(19-20-9-5-4-6-10-20)17-18-29-27(33)26-30-24-11-7-8-12-25(24)32(26)2/h4-16,22H,17-19H2,1-3H3,(H,29,33).
What are the key properties of N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide?
N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide is sourced from PubChem (CID 46864706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).