4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide

C21H17F2N3OS — CID 24529734

IUPAC4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(c2ccccc2F)c2nccn2C)sc2cccc(F)c12
InChIInChI=1S/C21H17F2N3OS/c1-12-17-15(23)8-5-9-16(17)28-19(12)21(27)25-18(20-24-10-11-26(20)2)13-6-3-4-7-14(13)22/h3-11,18H,1-2H3,(H,25,27)
InChIKeyWVFDENYKEHIPMN-UHFFFAOYSA-N
MW397.45 g/mol
LogP4.74
Rot. Bonds4

About 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide

4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide (PubChem CID 24529734) has the molecular formula C21H17F2N3OS and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
PubChem CID24529734
Molecular FormulaC21H17F2N3OS
Molecular Weight397.45 g/mol
Exact Mass397.11
IUPAC Name4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide
SMILESCc1c(C(=O)NC(c2ccccc2F)c2nccn2C)sc2cccc(F)c12
InChIInChI=1S/C21H17F2N3OS/c1-12-17-15(23)8-5-9-16(17)28-19(12)21(27)25-18(20-24-10-11-26(20)2)13-6-3-4-7-14(13)22/h3-11,18H,1-2H3,(H,25,27)
InChIKeyWVFDENYKEHIPMN-UHFFFAOYSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 27900346
4-bromo-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 17491274
2,3-dichloro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923192
1-[(1R)-1-(2-fluorophenyl)ethyl]-3-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 36517557
(Z)-3-(2,6-difluorophenyl)-N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 94232727
1-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-methylphenyl)urea
CID 41430481
(Z)-3-(2,6-difluorophenyl)-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]prop-2-enamide
CID 94232728
N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-nitrobenzamide
CID 41036704
2-(2,6-dimethylphenoxy)-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 17417006
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 46533259
N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(methoxymethyl)benzamide
CID 18102497
5-bromo-2-chloro-N-[(S)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25348091

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide (CID 24529734) is 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide is Cc1c(C(=O)NC(c2ccccc2F)c2nccn2C)sc2cccc(F)c12.
What is the InChIKey of 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
The InChIKey is WVFDENYKEHIPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3OS/c1-12-17-15(23)8-5-9-16(17)28-19(12)21(27)25-18(20-24-10-11-26(20)2)13-6-3-4-7-14(13)22/h3-11,18H,1-2H3,(H,25,27).
What are the key properties of 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide?
4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24529734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).