3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

C21H16ClN3OS — CID 24720842

IUPAC3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C21H16ClN3OS/c22-17-6-1-4-15(10-17)16-5-2-7-18(11-16)25-14-23-13-20(25)21(26)24-12-19-8-3-9-27-19/h1-11,13-14H,12H2,(H,24,26)
InChIKeyQYYMXAQFZOMWRU-UHFFFAOYSA-N
MW393.90 g/mol
LogP5.18
Rot. Bonds5

About 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 24720842) has the molecular formula C21H16ClN3OS and a molecular weight of 393.90 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
PubChem CID24720842
Molecular FormulaC21H16ClN3OS
Molecular Weight393.90 g/mol
Exact Mass393.07
IUPAC Name3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C21H16ClN3OS/c22-17-6-1-4-15(10-17)16-5-2-7-18(11-16)25-14-23-13-20(25)21(26)24-12-19-8-3-9-27-19/h1-11,13-14H,12H2,(H,24,26)
InChIKeyQYYMXAQFZOMWRU-UHFFFAOYSA-N
XLogP5.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.90
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (CID 24720842) is 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is O=C(NCc1cccs1)c1cncn1-c1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is QYYMXAQFZOMWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3OS/c22-17-6-1-4-15(10-17)16-5-2-7-18(11-16)25-14-23-13-20(25)21(26)24-12-19-8-3-9-27-19/h1-11,13-14H,12H2,(H,24,26).
What are the key properties of 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)phenyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 24720842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).