N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide

C26H26F2N4O — CID 142426166

IUPACN-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide
SMILESNCCCCCNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1
InChIInChI=1S/C26H26F2N4O/c27-21-11-9-19(15-22(21)28)20-10-12-24-23(16-20)31-25(26(33)30-14-6-2-5-13-29)32(24)17-18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17,29H2,(H,30,33)
InChIKeyFZNQTLQZSLZWQV-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.89
Rot. Bonds9

About N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide

N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide (PubChem CID 142426166) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide
PubChem CID142426166
Molecular FormulaC26H26F2N4O
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC NameN-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide
SMILESNCCCCCNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1
InChIInChI=1S/C26H26F2N4O/c27-21-11-9-19(15-22(21)28)20-10-12-24-23(16-20)31-25(26(33)30-14-6-2-5-13-29)32(24)17-18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17,29H2,(H,30,33)
InChIKeyFZNQTLQZSLZWQV-UHFFFAOYSA-N
XLogP4.89
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
CID 135324542
1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
CID 135324430
N-(4-aminobutyl)-3-[(4-bromophenyl)methyl]-4-oxoquinazoline-2-carboxamide
CID 165388817
1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide
CID 135324766
N-[(2S)-2,5-diaminopentyl]-1-[(2-fluoro-5-nitrophenyl)methyl]-5-(4-methylphenyl)benzimidazole-2-carboxamide
CID 158578557
1-benzyl-5-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-bromo-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-N-[(2S)-2,5-diaminopentyl]-6-(3,4-difluorophenyl)benzimidazole-2-carboxamide;1-benzyl-5-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;1-benzyl-6-(3,4-difluorophenyl)-N-[(2S)-2-methylhexyl]benzimidazole-2-carboxamide;6-bromo-N-[(2S)-2-methylhexyl]-3H-indole-2-carboxamide;deuterio(fluoro)methane;(3,4-difluorophenyl)boronic acid;methane;methanol;hydrochloride
CID 163700759
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-2-(4-phenylphenyl)acetamide
CID 16994310
N-[5-(1-benzylbenzimidazol-2-yl)pentyl]-4-bromobenzamide
CID 16991556
N-[1-(3-aminopropyl)indol-5-yl]-1-benzyl-6-chlorobenzimidazole-2-carboxamide
CID 19600385
3-chloro-N-[5-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990438
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
[(2S)-1-[[1-benzyl-6-(4-methoxyphenyl)benzimidazole-2-carbonyl]amino]-5-(carboxyamino)pentan-2-yl]carbamic acid
CID 135324857

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide?
The IUPAC name of N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide (CID 142426166) is N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide is NCCCCCNC(=O)c1nc2cc(-c3ccc(F)c(F)c3)ccc2n1Cc1ccccc1.
What is the InChIKey of N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide?
The InChIKey is FZNQTLQZSLZWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O/c27-21-11-9-19(15-22(21)28)20-10-12-24-23(16-20)31-25(26(33)30-14-6-2-5-13-29)32(24)17-18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14,17,29H2,(H,30,33).
What are the key properties of N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide?
N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide has a molecular weight of 448.52 g/mol, XLogP of 4.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 142426166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).