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

C26H28FN5O — CID 135324430

IUPAC1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
SMILESNCCCC(N)CNC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C26H28FN5O/c27-21-11-8-19(9-12-21)20-10-13-23-24(15-20)32(17-18-5-2-1-3-6-18)25(31-23)26(33)30-16-22(29)7-4-14-28/h1-3,5-6,8-13,15,22H,4,7,14,16-17,28-29H2,(H,30,33)
InChIKeyZEGDHVHZWRXTKX-UHFFFAOYSA-N
MW445.54 g/mol
LogP3.69
Rot. Bonds9

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

1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide (PubChem CID 135324430) has the molecular formula C26H28FN5O and a molecular weight of 445.54 g/mol. Its IUPAC name is 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
PubChem CID135324430
Molecular FormulaC26H28FN5O
Molecular Weight445.54 g/mol
Exact Mass445.23
IUPAC Name1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
SMILESNCCCC(N)CNC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2n1Cc1ccccc1
InChIInChI=1S/C26H28FN5O/c27-21-11-8-19(9-12-21)20-10-13-23-24(15-20)32(17-18-5-2-1-3-6-18)25(31-23)26(33)30-16-22(29)7-4-14-28/h1-3,5-6,8-13,15,22H,4,7,14,16-17,28-29H2,(H,30,33)
InChIKeyZEGDHVHZWRXTKX-UHFFFAOYSA-N
XLogP3.69
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide
CID 135324766
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
[(2S)-1-[[1-benzyl-6-(4-methoxyphenyl)benzimidazole-2-carbonyl]amino]-5-(carboxyamino)pentan-2-yl]carbamic acid
CID 135324857
N-[(2S)-2,5-diaminopentyl]-1-[(2-fluoro-5-nitrophenyl)methyl]-5-(4-methylphenyl)benzimidazole-2-carboxamide
CID 158578557
N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
CID 135324583
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
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-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
CID 135324525
N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 157297296
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 137385157

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide (CID 135324430) is 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide is NCCCC(N)CNC(=O)c1nc2ccc(-c3ccc(F)cc3)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide?
The InChIKey is ZEGDHVHZWRXTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O/c27-21-11-8-19(9-12-21)20-10-13-23-24(15-20)32(17-18-5-2-1-3-6-18)25(31-23)26(33)30-16-22(29)7-4-14-28/h1-3,5-6,8-13,15,22H,4,7,14,16-17,28-29H2,(H,30,33).
What are the key properties of 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide?
1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide has a molecular weight of 445.54 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide is sourced from PubChem (CID 135324430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).