5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide

C22H19F2N3OS — CID 159251643

IUPAC5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCCc1ccc2c(c1)nc(NC(=O)c1ccc(C(F)F)s1)n2-c1cccc(C)c1
InChIInChI=1S/C22H19F2N3OS/c1-3-14-7-8-17-16(12-14)25-22(27(17)15-6-4-5-13(2)11-15)26-21(28)19-10-9-18(29-19)20(23)24/h4-12,20H,3H2,1-2H3,(H,25,26,28)
InChIKeyLWHARTOTAWSVAQ-UHFFFAOYSA-N
MW411.48 g/mol
LogP6.15
Rot. Bonds5

About 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide

5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 159251643) has the molecular formula C22H19F2N3OS and a molecular weight of 411.48 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide
PubChem CID159251643
Molecular FormulaC22H19F2N3OS
Molecular Weight411.48 g/mol
Exact Mass411.12
IUPAC Name5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide
SMILESCCc1ccc2c(c1)nc(NC(=O)c1ccc(C(F)F)s1)n2-c1cccc(C)c1
InChIInChI=1S/C22H19F2N3OS/c1-3-14-7-8-17-16(12-14)25-22(27(17)15-6-4-5-13(2)11-15)26-21(28)19-10-9-18(29-19)20(23)24/h4-12,20H,3H2,1-2H3,(H,25,26,28)
InChIKeyLWHARTOTAWSVAQ-UHFFFAOYSA-N
XLogP6.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(difluoromethyl)-N-[5-[[[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]thiophene-2-carboxamide
CID 126737610
5-(difluoromethyl)-N-[5-[(2,2-dimethylpropylamino)methyl]-1-methylbenzimidazol-2-yl]thiophene-2-carboxamide
CID 134447403
5-(difluoromethyl)-N-[5-[methyl(methylsulfonyl)amino]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]thiophene-2-carboxamide
CID 126737334
N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 118118132
tert-butyl 2-[2-[[5-(difluoromethyl)thiophene-2-carbonyl]amino]-5-ethylbenzimidazol-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 159693083
3-(fluoromethyl)-N-[1-(3-fluorophenyl)-5-(piperidin-1-ylmethyl)benzimidazol-2-yl]benzamide
CID 70947971
4-fluoro-N-[5-methyl-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]benzamide
CID 72699495
N-[5-[[[(2S)-3,3-dimethylbutan-2-yl]amino]methyl]-1-[3-(1-hydroxyprop-2-enylamino)phenyl]benzimidazol-2-yl]-1,2-thiazole-5-carboxamide
CID 155380618
5-(difluoromethyl)-N-[5-[[(3-hydroxycyclobutyl)amino]methyl]-1-[(4R)-1-prop-2-enoylazepan-4-yl]benzimidazol-2-yl]thiophene-2-carboxamide
CID 139440964
N-[1-[3-[[(E)-but-2-enoyl]amino]phenyl]-5-methylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 72699742
N-[1-[[1-(2-cyano-4,4-dimethylpent-2-enoyl)pyrrolidin-2-yl]methyl]-5-[(3,3-dimethylbutan-2-ylamino)methyl]benzimidazol-2-yl]-5-(difluoromethyl)thiophene-2-carboxamide
CID 123965739
N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 3655846

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide (CID 159251643) is 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide is CCc1ccc2c(c1)nc(NC(=O)c1ccc(C(F)F)s1)n2-c1cccc(C)c1.
What is the InChIKey of 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide?
The InChIKey is LWHARTOTAWSVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3OS/c1-3-14-7-8-17-16(12-14)25-22(27(17)15-6-4-5-13(2)11-15)26-21(28)19-10-9-18(29-19)20(23)24/h4-12,20H,3H2,1-2H3,(H,25,26,28).
What are the key properties of 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide?
5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 411.48 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[5-ethyl-1-(3-methylphenyl)benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 159251643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).