1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide

C27H31N5O2 — CID 135324766

IUPAC1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide
SMILESCOc1ccc(-c2ccc3nc(C(=O)NCC(N)CCCN)n(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C27H31N5O2/c1-34-23-12-9-20(10-13-23)21-11-14-24-25(16-21)32(18-19-6-3-2-4-7-19)26(31-24)27(33)30-17-22(29)8-5-15-28/h2-4,6-7,9-14,16,22H,5,8,15,17-18,28-29H2,1H3,(H,30,33)
InChIKeyLRBVNHSTTSTEQV-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.56
Rot. Bonds10

About 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide

1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide (PubChem CID 135324766) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide
PubChem CID135324766
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide
SMILESCOc1ccc(-c2ccc3nc(C(=O)NCC(N)CCCN)n(Cc4ccccc4)c3c2)cc1
InChIInChI=1S/C27H31N5O2/c1-34-23-12-9-20(10-13-23)21-11-14-24-25(16-21)32(18-19-6-3-2-4-7-19)26(31-24)27(33)30-17-22(29)8-5-15-28/h2-4,6-7,9-14,16,22H,5,8,15,17-18,28-29H2,1H3,(H,30,33)
InChIKeyLRBVNHSTTSTEQV-UHFFFAOYSA-N
XLogP3.56
TPSA108.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
CID 135324430
[(2S)-1-[[1-benzyl-6-(4-methoxyphenyl)benzimidazole-2-carbonyl]amino]-5-(carboxyamino)pentan-2-yl]carbamic acid
CID 135324857
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
CID 135324542
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide
CID 142426166
N-[(2S)-2,5-diaminopentyl]-1-[(2-fluoro-5-nitrophenyl)methyl]-5-(4-methylphenyl)benzimidazole-2-carboxamide
CID 158578557
1-benzyl-2-(4-methoxyphenyl)-6-methylbenzimidazole
CID 45104451
1-benzyl-6-chloro-N-[[3-(3-chloropropoxy)phenyl]methyl]benzimidazole-2-carboxamide
CID 139771554
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
N-[1-(3-aminopropyl)indol-5-yl]-1-benzyl-6-chlorobenzimidazole-2-carboxamide
CID 19600385
N-[5-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994327

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide (CID 135324766) is 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide is COc1ccc(-c2ccc3nc(C(=O)NCC(N)CCCN)n(Cc4ccccc4)c3c2)cc1.
What is the InChIKey of 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide?
The InChIKey is LRBVNHSTTSTEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-34-23-12-9-20(10-13-23)21-11-14-24-25(16-21)32(18-19-6-3-2-4-7-19)26(31-24)27(33)30-17-22(29)8-5-15-28/h2-4,6-7,9-14,16,22H,5,8,15,17-18,28-29H2,1H3,(H,30,33).
What are the key properties of 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide?
1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 3.56, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 135324766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).