3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide

C15H12ClN3OS — CID 56704735

IUPAC3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-n2ccnc2-c2ccc(Cl)s2)c1
InChIInChI=1S/C15H12ClN3OS/c1-17-15(20)10-3-2-4-11(9-10)19-8-7-18-14(19)12-5-6-13(16)21-12/h2-9H,1H3,(H,17,20)
InChIKeyKUULMWCGRKLIRY-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.61
Rot. Bonds3

About 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide

3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide (PubChem CID 56704735) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide
PubChem CID56704735
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC Name3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-n2ccnc2-c2ccc(Cl)s2)c1
InChIInChI=1S/C15H12ClN3OS/c1-17-15(20)10-3-2-4-11(9-10)19-8-7-18-14(19)12-5-6-13(16)21-12/h2-9H,1H3,(H,17,20)
InChIKeyKUULMWCGRKLIRY-UHFFFAOYSA-N
XLogP3.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide?
The IUPAC name of 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide (CID 56704735) is 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide?
The canonical SMILES for 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide is CNC(=O)c1cccc(-n2ccnc2-c2ccc(Cl)s2)c1.
What is the InChIKey of 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide?
The InChIKey is KUULMWCGRKLIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-17-15(20)10-3-2-4-11(9-10)19-8-7-18-14(19)12-5-6-13(16)21-12/h2-9H,1H3,(H,17,20).
What are the key properties of 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide?
3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide has a molecular weight of 317.80 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-N-methylbenzamide is sourced from PubChem (CID 56704735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).