2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole

C13H11ClN2S — CID 103402830

IUPAC2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3scc(C)c3Cl)[nH]c2c1
InChIInChI=1S/C13H11ClN2S/c1-7-3-4-9-10(5-7)16-13(15-9)12-11(14)8(2)6-17-12/h3-6H,1-2H3,(H,15,16)
InChIKeyIGKBMHWNMKZHNJ-UHFFFAOYSA-N
MW262.77 g/mol
LogP4.56
Rot. Bonds1

About 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole

2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole (PubChem CID 103402830) has the molecular formula C13H11ClN2S and a molecular weight of 262.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
PubChem CID103402830
Molecular FormulaC13H11ClN2S
Molecular Weight262.77 g/mol
Exact Mass262.03
IUPAC Name2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3scc(C)c3Cl)[nH]c2c1
InChIInChI=1S/C13H11ClN2S/c1-7-3-4-9-10(5-7)16-13(15-9)12-11(14)8(2)6-17-12/h3-6H,1-2H3,(H,15,16)
InChIKeyIGKBMHWNMKZHNJ-UHFFFAOYSA-N
XLogP4.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.77
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylthiophen-2-yl)-5,6-difluoro-1H-benzimidazole
CID 103402837
2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 103402838
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 103402863
8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
CID 103402885
2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 103402869
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922101
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915474
2-N-(4-chlorophenyl)-5-(6-methyl-1H-benzimidazol-2-yl)-1,3-thiazole-2,4-diamine
CID 121352810
2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-amine
CID 24695739
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole (CID 103402830) is 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3scc(C)c3Cl)[nH]c2c1.
What is the InChIKey of 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole?
The InChIKey is IGKBMHWNMKZHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2S/c1-7-3-4-9-10(5-7)16-13(15-9)12-11(14)8(2)6-17-12/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole?
2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole has a molecular weight of 262.77 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 103402830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).