1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide

C17H16FN3O — CID 3447663

IUPAC1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(F)c1
InChIInChI=1S/C17H16FN3O/c1-2-8-19-17(22)12-6-7-16-15(9-12)20-11-21(16)14-5-3-4-13(18)10-14/h3-7,9-11H,2,8H2,1H3,(H,19,22)
InChIKeyCOCGBHVMGSZLCF-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.30
Rot. Bonds4

About 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide

1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide (PubChem CID 3447663) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
PubChem CID3447663
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC Name1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(F)c1
InChIInChI=1S/C17H16FN3O/c1-2-8-19-17(22)12-6-7-16-15(9-12)20-11-21(16)14-5-3-4-13(18)10-14/h3-7,9-11H,2,8H2,1H3,(H,19,22)
InChIKeyCOCGBHVMGSZLCF-UHFFFAOYSA-N
XLogP3.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
1-[3-[3-(4-fluorophenoxy)propoxy]phenyl]-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 11340536
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
1-(3-fluorophenyl)-N-[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-3-yl]benzimidazole-5-carboxamide
CID 69059809
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
1-(3,4-difluorophenyl)-N-(2,2-dimethoxyethyl)benzimidazole-5-carboxamide
CID 3448788
1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
N-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-5-yl]-1-(3-fluorophenyl)benzimidazole-5-carboxamide
CID 69056361
2-benzylsulfanyl-3-(3-fluorophenyl)-4-oxo-N-propylquinazoline-7-carboxamide
CID 46361887
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide (CID 3447663) is 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)ncn2-c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide?
The InChIKey is COCGBHVMGSZLCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-2-8-19-17(22)12-6-7-16-15(9-12)20-11-21(16)14-5-3-4-13(18)10-14/h3-7,9-11H,2,8H2,1H3,(H,19,22).
What are the key properties of 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide?
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide has a molecular weight of 297.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 3447663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).