2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide

C18H18FN3O — CID 100776455

IUPAC2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide
SMILESCCc1nc2cc(C(=O)N(C)c3ccc(F)cc3)ccc2n1C
InChIInChI=1S/C18H18FN3O/c1-4-17-20-15-11-12(5-10-16(15)22(17)3)18(23)21(2)14-8-6-13(19)7-9-14/h5-11H,4H2,1-3H3
InChIKeyHWGHJKHLDAYVKI-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.55
Rot. Bonds3

About 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide

2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide (PubChem CID 100776455) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide
PubChem CID100776455
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide
SMILESCCc1nc2cc(C(=O)N(C)c3ccc(F)cc3)ccc2n1C
InChIInChI=1S/C18H18FN3O/c1-4-17-20-15-11-12(5-10-16(15)22(17)3)18(23)21(2)14-8-6-13(19)7-9-14/h5-11H,4H2,1-3H3
InChIKeyHWGHJKHLDAYVKI-UHFFFAOYSA-N
XLogP3.55
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 20955785
1-(4,4-dimethyloxet-2-yl)-N-(4-fluorophenyl)-N-methylbenzimidazole-5-carboxamide
CID 171799535
N-[4-[acetyl(methyl)amino]phenyl]-4-fluoro-N-methylbenzamide
CID 113094823
N-(3-acetamidophenyl)-2-ethyl-1-methylbenzimidazole-5-carboxamide
CID 100776792
2,6-dichloro-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 61062805
2-ethyl-3-methylbenzimidazole-5-carboxylic acid
CID 53409133
N-(4-fluorophenyl)-N,4-dimethylbenzamide
CID 90825251
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
2-[[(2-ethylphenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 53104258
2-[(4-carbamimidoylphenyl)methyl]-N,1-dimethyl-N-pyridin-3-ylbenzimidazole-5-carboxamide;hydrochloride
CID 23302227
2-bromo-N-(4-fluorophenyl)-N-methylpyridine-4-carboxamide
CID 103752537
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide (CID 100776455) is 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide is CCc1nc2cc(C(=O)N(C)c3ccc(F)cc3)ccc2n1C.
What is the InChIKey of 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide?
The InChIKey is HWGHJKHLDAYVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-4-17-20-15-11-12(5-10-16(15)22(17)3)18(23)21(2)14-8-6-13(19)7-9-14/h5-11H,4H2,1-3H3.
What are the key properties of 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide?
2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(4-fluorophenyl)-N,1-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 100776455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).