6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole

C13H12N2S — CID 60978374

IUPAC6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
SMILESCc1ccc2nc(Cc3cccs3)[nH]c2c1
InChIInChI=1S/C13H12N2S/c1-9-4-5-11-12(7-9)15-13(14-11)8-10-3-2-6-16-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyUEBTUULCRBZHHH-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.52
Rot. Bonds2

About 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole

6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole (PubChem CID 60978374) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
PubChem CID60978374
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
SMILESCc1ccc2nc(Cc3cccs3)[nH]c2c1
InChIInChI=1S/C13H12N2S/c1-9-4-5-11-12(7-9)15-13(14-11)8-10-3-2-6-16-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyUEBTUULCRBZHHH-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 53274257
5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 39158334
2-[2-(thiophen-2-ylmethyl)-3H-benzimidazol-5-yl]acetic acid
CID 82142003
2-(thiophen-2-ylmethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 39158392
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenol
CID 80740442
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
CID 81432482
6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978921
2-(6-methyl-1H-benzimidazol-2-yl)ethanamine;dihydrochloride
CID 19195701
2-[(6-methyl-1H-benzimidazol-2-yl)methyl]-3H-benzimidazole-5-carboximidamide
CID 54496754
N-[(2S)-1-cyano-4-methylpentan-2-yl]-2-(thiophen-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 144591189
6-methyl-5-(4-methylphenyl)-2-(thiophen-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 78838459

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole (CID 60978374) is 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole is Cc1ccc2nc(Cc3cccs3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
The InChIKey is UEBTUULCRBZHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-9-4-5-11-12(7-9)15-13(14-11)8-10-3-2-6-16-10/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole?
6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole has a molecular weight of 228.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 60978374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).