N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide

C17H16FN3O — CID 58284883

IUPACN-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(-n2c(C)nc3cc(F)ccc32)cc1
InChIInChI=1S/C17H16FN3O/c1-3-19-17(22)12-4-7-14(8-5-12)21-11(2)20-15-10-13(18)6-9-16(15)21/h4-10H,3H2,1-2H3,(H,19,22)
InChIKeyIAZDRWAHHDMWAI-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.22
Rot. Bonds3

About N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide

N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide (PubChem CID 58284883) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide
PubChem CID58284883
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide
SMILESCCNC(=O)c1ccc(-n2c(C)nc3cc(F)ccc32)cc1
InChIInChI=1S/C17H16FN3O/c1-3-19-17(22)12-4-7-14(8-5-12)21-11(2)20-15-10-13(18)6-9-16(15)21/h4-10H,3H2,1-2H3,(H,19,22)
InChIKeyIAZDRWAHHDMWAI-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-N-(2-methoxyethyl)-2-methylbenzimidazole-5-carboxamide
CID 3244293
N-(2-methoxyethyl)-1-(4-methoxyphenyl)-2-methylbenzimidazole-5-carboxamide
CID 3574227
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-(4-fluorophenyl)-2-methylbenzimidazole-5-carboxamide
CID 143868988
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968
1-(3,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-methylbenzimidazole-5-carboxamide
CID 23996925
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
1-(4-bromophenyl)-2-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 6617180
3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide
CID 143868930
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
2-[(3-fluorophenyl)methyl-(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]acetic acid
CID 110165667
1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 4103678

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide?
The IUPAC name of N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide (CID 58284883) is N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide.
What is the SMILES notation for N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide?
The canonical SMILES for N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide is CCNC(=O)c1ccc(-n2c(C)nc3cc(F)ccc32)cc1.
What is the InChIKey of N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide?
The InChIKey is IAZDRWAHHDMWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-3-19-17(22)12-4-7-14(8-5-12)21-11(2)20-15-10-13(18)6-9-16(15)21/h4-10H,3H2,1-2H3,(H,19,22).
What are the key properties of N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide?
N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide has a molecular weight of 297.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(5-fluoro-2-methylbenzimidazol-1-yl)benzamide is sourced from PubChem (CID 58284883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).