1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one

C16H15ClN2OS — CID 43797835

IUPAC1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one
SMILESCc1cc2ncn(C(C)C(=O)c3ccc(Cl)s3)c2cc1C
InChIInChI=1S/C16H15ClN2OS/c1-9-6-12-13(7-10(9)2)19(8-18-12)11(3)16(20)14-4-5-15(17)21-14/h4-8,11H,1-3H3
InChIKeyWVQLODROXUXZRN-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.81
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one (PubChem CID 43797835) has the molecular formula C16H15ClN2OS and a molecular weight of 318.83 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one
PubChem CID43797835
Molecular FormulaC16H15ClN2OS
Molecular Weight318.83 g/mol
Exact Mass318.06
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one
SMILESCc1cc2ncn(C(C)C(=O)c3ccc(Cl)s3)c2cc1C
InChIInChI=1S/C16H15ClN2OS/c1-9-6-12-13(7-10(9)2)19(8-18-12)11(3)16(20)14-4-5-15(17)21-14/h4-8,11H,1-3H3
InChIKeyWVQLODROXUXZRN-UHFFFAOYSA-N
XLogP4.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one (CID 43797835) is 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one is Cc1cc2ncn(C(C)C(=O)c3ccc(Cl)s3)c2cc1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one?
The InChIKey is WVQLODROXUXZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2OS/c1-9-6-12-13(7-10(9)2)19(8-18-12)11(3)16(20)14-4-5-15(17)21-14/h4-8,11H,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one has a molecular weight of 318.83 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(5,6-dimethylbenzimidazol-1-yl)propan-1-one is sourced from PubChem (CID 43797835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).