6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole

C13H12N2OS — CID 65017413

IUPAC6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
SMILESCOc1ccc2nc(Cc3ccsc3)[nH]c2c1
InChIInChI=1S/C13H12N2OS/c1-16-10-2-3-11-12(7-10)15-13(14-11)6-9-4-5-17-8-9/h2-5,7-8H,6H2,1H3,(H,14,15)
InChIKeyKHNQGRIJXODFLV-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.22
Rot. Bonds3

About 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole

6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole (PubChem CID 65017413) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
PubChem CID65017413
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
SMILESCOc1ccc2nc(Cc3ccsc3)[nH]c2c1
InChIInChI=1S/C13H12N2OS/c1-16-10-2-3-11-12(7-10)15-13(14-11)6-9-4-5-17-8-9/h2-5,7-8H,6H2,1H3,(H,14,15)
InChIKeyKHNQGRIJXODFLV-UHFFFAOYSA-N
XLogP3.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
2-[(4-methoxyphenyl)methyl]-6-methyl-1H-benzimidazole
CID 924813
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
4-[(6-methoxy-1H-benzimidazol-2-yl)methoxy]aniline
CID 65017728
6-methoxy-2-[(3-methylphenoxy)methyl]-1H-benzimidazole
CID 27408365
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
2-(thiophen-3-ylmethyl)-1,6,7,8-tetrahydro-[1,4]dioxepino[2,3-f]benzimidazole
CID 43168733
[2-[(3-methoxyphenyl)methyl]-3H-benzimidazol-5-yl]methanamine
CID 79004539
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole (CID 65017413) is 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole is COc1ccc2nc(Cc3ccsc3)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole?
The InChIKey is KHNQGRIJXODFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c1-16-10-2-3-11-12(7-10)15-13(14-11)6-9-4-5-17-8-9/h2-5,7-8H,6H2,1H3,(H,14,15).
What are the key properties of 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole?
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole has a molecular weight of 244.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 65017413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).