1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide

C26H28N6O2 — CID 67247612

IUPAC1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide
SMILESCc1nccc(C(=O)N(C)C(CCNC(=O)c2nc3ccccc3n2C)Cc2ccccc2)n1
InChIInChI=1S/C26H28N6O2/c1-18-27-16-14-22(29-18)26(34)31(2)20(17-19-9-5-4-6-10-19)13-15-28-25(33)24-30-21-11-7-8-12-23(21)32(24)3/h4-12,14,16,20H,13,15,17H2,1-3H3,(H,28,33)
InChIKeyPLYVUJFJWPEBCF-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.18
Rot. Bonds8

About 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide

1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide (PubChem CID 67247612) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide
PubChem CID67247612
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide
SMILESCc1nccc(C(=O)N(C)C(CCNC(=O)c2nc3ccccc3n2C)Cc2ccccc2)n1
InChIInChI=1S/C26H28N6O2/c1-18-27-16-14-22(29-18)26(34)31(2)20(17-19-9-5-4-6-10-19)13-15-28-25(33)24-30-21-11-7-8-12-23(21)32(24)3/h4-12,14,16,20H,13,15,17H2,1-3H3,(H,28,33)
InChIKeyPLYVUJFJWPEBCF-UHFFFAOYSA-N
XLogP3.18
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-methoxybenzoyl)-methylamino]-4-phenylbutyl]-1-methylbenzimidazole-2-carboxamide
CID 46864706
N,2-dimethyl-N-[4-[(6-methylpyridine-2-carbonyl)amino]-1-phenylbutan-2-yl]pyrimidine-4-carboxamide
CID 67248249
N,1-dimethyl-N-[1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]indole-5-carboxamide
CID 46864663
N-[3-[(4-bromobenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864752
6-methyl-N-[3-[methyl(quinoxaline-6-carbonyl)amino]-4-phenylbutyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67248601
N-[3-[1-benzofuran-5-carbonyl(methyl)amino]-4-phenylbutyl]pyridine-2-carboxamide
CID 46864903
N-(2-hydroxypropyl)-1-methylbenzimidazole-2-carboxamide
CID 110469008
4,6-dichloro-N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87324298
N-methyl-N-[(2S)-1-phenyl-4-(pyridine-2-carbonylamino)butan-2-yl]-1H-indole-7-carboxamide
CID 59475209
N-methyl-N-[4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]-1,8-naphthyridine-4-carboxamide
CID 53250073
4,6-dichloro-N-methyl-N-[(2S)-4-[(1-methylpyrrole-2-carbonyl)amino]-1-phenylbutan-2-yl]pyridine-2-carboxamide
CID 87329161
N-[(3S)-3-[(3-methoxybenzoyl)-methylamino]-4-phenylbutyl]pyridine-2-carboxamide
CID 59475160

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide (CID 67247612) is 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide is Cc1nccc(C(=O)N(C)C(CCNC(=O)c2nc3ccccc3n2C)Cc2ccccc2)n1.
What is the InChIKey of 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide?
The InChIKey is PLYVUJFJWPEBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-18-27-16-14-22(29-18)26(34)31(2)20(17-19-9-5-4-6-10-19)13-15-28-25(33)24-30-21-11-7-8-12-23(21)32(24)3/h4-12,14,16,20H,13,15,17H2,1-3H3,(H,28,33).
What are the key properties of 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide?
1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-4-phenylbutyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 67247612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).