6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide

C18H18FN3O2 — CID 122140907

IUPAC6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC(O)CCc1ccccc1)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C18H18FN3O2/c19-13-8-15(17-16(9-13)21-11-22-17)18(24)20-10-14(23)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,23H,6-7,10H2,(H,20,24)(H,21,22)
InChIKeyDZNYKJDQMXEPLQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.43
Rot. Bonds6

About 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide

6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide (PubChem CID 122140907) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide
PubChem CID122140907
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide
SMILESO=C(NCC(O)CCc1ccccc1)c1cc(F)cc2[nH]cnc12
InChIInChI=1S/C18H18FN3O2/c19-13-8-15(17-16(9-13)21-11-22-17)18(24)20-10-14(23)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,23H,6-7,10H2,(H,20,24)(H,21,22)
InChIKeyDZNYKJDQMXEPLQ-UHFFFAOYSA-N
XLogP2.43
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]phenyl]acetic acid
CID 91645207
6-fluoro-N-[2-(methylamino)propyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120829118
6-fluoro-N-(3-hydroxy-4-methylpentyl)-1H-benzimidazole-4-carboxamide
CID 111460992
6-fluoro-N-[(2R,4S)-4-hydroxy-4-phenylbutan-2-yl]-1H-benzimidazole-4-carboxamide
CID 97228107
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119525306
6-fluoro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1H-benzimidazole-4-carboxamide
CID 75519838
5-[[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]methyl]-2-methoxybenzoic acid
CID 138041845
6-fluoro-N-methyl-N-[(4-phenylphenyl)methyl]-1H-benzimidazole-4-carboxamide
CID 75404720
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 94800244
6-fluoro-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1H-benzimidazole-4-carboxamide
CID 111481122
N-(1-aminohexan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119664829
N-(1-amino-4-methylpentan-2-yl)-6-fluoro-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 119585412

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide (CID 122140907) is 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide is O=C(NCC(O)CCc1ccccc1)c1cc(F)cc2[nH]cnc12.
What is the InChIKey of 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is DZNYKJDQMXEPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-13-8-15(17-16(9-13)21-11-22-17)18(24)20-10-14(23)7-6-12-4-2-1-3-5-12/h1-5,8-9,11,14,23H,6-7,10H2,(H,20,24)(H,21,22).
What are the key properties of 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide?
6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 327.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-hydroxy-4-phenylbutyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 122140907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).