N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide

C22H19N3OS — CID 23503666

IUPACN-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide
SMILESCc1ncc(-c2cccc(NC(=O)c3ccc(-c4ccccc4)s3)c2)n1C
InChIInChI=1S/C22H19N3OS/c1-15-23-14-19(25(15)2)17-9-6-10-18(13-17)24-22(26)21-12-11-20(27-21)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,24,26)
InChIKeySMHLLIJKDUCZSS-UHFFFAOYSA-N
MW373.48 g/mol
LogP5.38
Rot. Bonds4

About N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide

N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide (PubChem CID 23503666) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide
PubChem CID23503666
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC NameN-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide
SMILESCc1ncc(-c2cccc(NC(=O)c3ccc(-c4ccccc4)s3)c2)n1C
InChIInChI=1S/C22H19N3OS/c1-15-23-14-19(25(15)2)17-9-6-10-18(13-17)24-22(26)21-12-11-20(27-21)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,24,26)
InChIKeySMHLLIJKDUCZSS-UHFFFAOYSA-N
XLogP5.38
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.48
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide?
The IUPAC name of N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide (CID 23503666) is N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide is Cc1ncc(-c2cccc(NC(=O)c3ccc(-c4ccccc4)s3)c2)n1C.
What is the InChIKey of N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide?
The InChIKey is SMHLLIJKDUCZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-15-23-14-19(25(15)2)17-9-6-10-18(13-17)24-22(26)21-12-11-20(27-21)16-7-4-3-5-8-16/h3-14H,1-2H3,(H,24,26).
What are the key properties of N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide?
N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,3-dimethylimidazol-4-yl)phenyl]-5-phenylthiophene-2-carboxamide is sourced from PubChem (CID 23503666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).