N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide

C20H15ClFN3OS — CID 24532879

IUPACN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cc2cc(F)ccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3OS/c1-25-9-8-23-19(25)18(12-2-4-14(21)5-3-12)24-20(26)17-11-13-10-15(22)6-7-16(13)27-17/h2-11,18H,1H3,(H,24,26)
InChIKeySROKTFRFOFPDAZ-UHFFFAOYSA-N
MW399.88 g/mol
LogP4.95
Rot. Bonds4

About N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide

N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide (PubChem CID 24532879) has the molecular formula C20H15ClFN3OS and a molecular weight of 399.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
PubChem CID24532879
Molecular FormulaC20H15ClFN3OS
Molecular Weight399.88 g/mol
Exact Mass399.06
IUPAC NameN-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cc2cc(F)ccc2s1)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN3OS/c1-25-9-8-23-19(25)18(12-2-4-14(21)5-3-12)24-20(26)17-11-13-10-15(22)6-7-16(13)27-17/h2-11,18H,1H3,(H,24,26)
InChIKeySROKTFRFOFPDAZ-UHFFFAOYSA-N
XLogP4.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 25344825
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(4-fluorophenyl)methyl]-3-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 43013937
2,4-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17406821
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 42932073
(E)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 9247948
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42921444
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51559087
4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
7-fluoro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylquinoline-4-carboxamide
CID 55607345
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 45355242

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide (CID 24532879) is N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide is Cn1ccnc1C(NC(=O)c1cc2cc(F)ccc2s1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide?
The InChIKey is SROKTFRFOFPDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3OS/c1-25-9-8-23-19(25)18(12-2-4-14(21)5-3-12)24-20(26)17-11-13-10-15(22)6-7-16(13)27-17/h2-11,18H,1H3,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide?
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide has a molecular weight of 399.88 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-5-fluoro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 24532879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).