N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide

C26H27F2N5O — CID 135324542

IUPACN-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
SMILESNCCCC(N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C26H27F2N5O/c27-20-8-3-17(4-9-20)16-33-24-12-7-19(18-5-10-21(28)11-6-18)14-23(24)32-25(33)26(34)31-15-22(30)2-1-13-29/h3-12,14,22H,1-2,13,15-16,29-30H2,(H,31,34)
InChIKeyZFPKQBJFBHABKN-UHFFFAOYSA-N
MW463.53 g/mol
LogP3.83
Rot. Bonds9

About N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide

N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide (PubChem CID 135324542) has the molecular formula C26H27F2N5O and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
PubChem CID135324542
Molecular FormulaC26H27F2N5O
Molecular Weight463.53 g/mol
Exact Mass463.22
IUPAC NameN-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide
SMILESNCCCC(N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)ccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C26H27F2N5O/c27-20-8-3-17(4-9-20)16-33-24-12-7-19(18-5-10-21(28)11-6-18)14-23(24)32-25(33)26(34)31-15-22(30)2-1-13-29/h3-12,14,22H,1-2,13,15-16,29-30H2,(H,31,34)
InChIKeyZFPKQBJFBHABKN-UHFFFAOYSA-N
XLogP3.83
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(2,5-diaminopentyl)-6-(4-fluorophenyl)benzimidazole-2-carboxamide
CID 135324430
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide
CID 135324548
N-[(2S)-2,5-diaminopentyl]-1-[(2-fluoro-5-nitrophenyl)methyl]-5-(4-methylphenyl)benzimidazole-2-carboxamide
CID 158578557
1-benzyl-N-(2,5-diaminopentyl)-6-(4-methoxyphenyl)benzimidazole-2-carboxamide
CID 135324766
N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide
CID 142426166
N-[(2S)-2,5-diaminopentyl]-6-(4-fluorophenyl)-1H-indole-2-carboxamide;dihydrochloride
CID 135324109
N-[(2S)-2,5-diaminopentyl]-2-[6-(4-fluorophenyl)-1H-benzimidazol-2-yl]acetamide
CID 135324583
N-(2,5-diaminopentyl)-5,6-bis(4-fluorophenyl)-1H-benzimidazole-2-carboxamide;dihydrochloride
CID 135324525
tert-butyl N-[(2S)-1-aminohexan-2-yl]carbamate;tert-butyl N-[(4S)-5-[[5-(4-fluorophenyl)-1-methylbenzimidazole-2-carbonyl]amino]-4-methylpentyl]carbamate;N-[(2S)-2,5-diaminopentyl]-5-(4-fluorophenyl)-1-methylbenzimidazole-2-carboxamide;hydrochloride
CID 159510728
N-[(2S)-2,5-diaminopentyl]-3,5-bis(4-fluorophenyl)-1H-indole-2-carboxamide
CID 137385157
[(2S)-5-azaniumyl-1-[[5-(4-fluorophenyl)-1-methylbenzimidazole-2-carbonyl]amino]pentan-2-yl]azanium
CID 153489419
N-[(2S)-2,5-diaminopentyl]-6-(4-methylphenyl)-1H-benzimidazole-2-carboxamide
CID 157297296

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide?
The IUPAC name of N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide (CID 135324542) is N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide.
What is the SMILES notation for N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide?
The canonical SMILES for N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide is NCCCC(N)CNC(=O)c1nc2cc(-c3ccc(F)cc3)ccc2n1Cc1ccc(F)cc1.
What is the InChIKey of N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide?
The InChIKey is ZFPKQBJFBHABKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N5O/c27-20-8-3-17(4-9-20)16-33-24-12-7-19(18-5-10-21(28)11-6-18)14-23(24)32-25(33)26(34)31-15-22(30)2-1-13-29/h3-12,14,22H,1-2,13,15-16,29-30H2,(H,31,34).
What are the key properties of N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide?
N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide has a molecular weight of 463.53 g/mol, XLogP of 3.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diaminopentyl)-5-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 135324542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).