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

C12H7ClF2N2S — CID 103402869

IUPAC2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole
SMILESCc1csc(-c2nc3c(F)cc(F)cc3[nH]2)c1Cl
InChIInChI=1S/C12H7ClF2N2S/c1-5-4-18-11(9(5)13)12-16-8-3-6(14)2-7(15)10(8)17-12/h2-4H,1H3,(H,16,17)
InChIKeyBJQYUBXDTQTBCR-UHFFFAOYSA-N
MW284.72 g/mol
LogP4.53
Rot. Bonds1

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

2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole (PubChem CID 103402869) has the molecular formula C12H7ClF2N2S and a molecular weight of 284.72 g/mol. Its IUPAC name is 2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole
PubChem CID103402869
Molecular FormulaC12H7ClF2N2S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole
SMILESCc1csc(-c2nc3c(F)cc(F)cc3[nH]2)c1Cl
InChIInChI=1S/C12H7ClF2N2S/c1-5-4-18-11(9(5)13)12-16-8-3-6(14)2-7(15)10(8)17-12/h2-4H,1H3,(H,16,17)
InChIKeyBJQYUBXDTQTBCR-UHFFFAOYSA-N
XLogP4.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 54.53
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
5-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methyl-1,3-thiazole
CID 81463558
2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
CID 103402830
2-(3-bromothiophen-2-yl)-4,6-difluoro-1H-benzimidazole
CID 81463096
2-(2,5-dimethylphenyl)-4,6-difluoro-1H-benzimidazole
CID 81463007
8-(3-chloro-4-methylthiophen-2-yl)-7H-purine
CID 103402885
2-(3-chloro-4-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 103402863
2-(3-chloro-4-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 103402838
2-(3-chlorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463017
3,6-dichloro-2-(4,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107050001
2-(2,5-difluorophenyl)-4,6-difluoro-1H-benzimidazole
CID 81463378
3-(4,6-difluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829918

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole (CID 103402869) is 2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole is Cc1csc(-c2nc3c(F)cc(F)cc3[nH]2)c1Cl.
What is the InChIKey of 2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is BJQYUBXDTQTBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N2S/c1-5-4-18-11(9(5)13)12-16-8-3-6(14)2-7(15)10(8)17-12/h2-4H,1H3,(H,16,17).
What are the key properties of 2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole?
2-(3-chloro-4-methylthiophen-2-yl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 284.72 g/mol, XLogP of 4.53, 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)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 103402869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).