4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole

C14H14N2S — CID 82947476

IUPAC4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(C)s3)[nH]c2c1
InChIInChI=1S/C14H14N2S/c1-8-6-9(2)13-11(7-8)15-14(16-13)12-5-4-10(3)17-12/h4-7H,1-3H3,(H,15,16)
InChIKeyHKXZKMVJYBSCFU-UHFFFAOYSA-N
MW242.35 g/mol
LogP4.22
Rot. Bonds1

About 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole

4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole (PubChem CID 82947476) has the molecular formula C14H14N2S and a molecular weight of 242.35 g/mol. Its IUPAC name is 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole
PubChem CID82947476
Molecular FormulaC14H14N2S
Molecular Weight242.35 g/mol
Exact Mass242.09
IUPAC Name4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole
SMILESCc1cc(C)c2nc(-c3ccc(C)s3)[nH]c2c1
InChIInChI=1S/C14H14N2S/c1-8-6-9(2)13-11(7-8)15-14(16-13)12-5-4-10(3)17-12/h4-7H,1-3H3,(H,15,16)
InChIKeyHKXZKMVJYBSCFU-UHFFFAOYSA-N
XLogP4.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
3-(4,6-dimethyl-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 82946515
2-(3,4-dichlorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773183
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82946945
4,6-dimethyl-2-(5-methyl-3-pyridinyl)-1H-benzimidazole
CID 82946962
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
2-[4-(chloromethyl)phenyl]-4,6-dimethyl-1H-benzimidazole
CID 82946949
2-(2,5-dibromophenyl)-4,6-dimethyl-1H-benzimidazole
CID 114373909
6-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82946936
2-(2-bromofuran-3-yl)-4,6-dimethyl-1H-benzimidazole
CID 106854947
4-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 82947385
2-(3,5-dimethoxyphenyl)-4,6-dimethyl-1H-benzimidazole
CID 82942404

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole?
The IUPAC name of 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole (CID 82947476) is 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole?
The canonical SMILES for 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole is Cc1cc(C)c2nc(-c3ccc(C)s3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole?
The InChIKey is HKXZKMVJYBSCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S/c1-8-6-9(2)13-11(7-8)15-14(16-13)12-5-4-10(3)17-12/h4-7H,1-3H3,(H,15,16).
What are the key properties of 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole?
4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole has a molecular weight of 242.35 g/mol, XLogP of 4.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(5-methylthiophen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 82947476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).