4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole

C15H16N2S — CID 60978360

IUPAC4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(CCCc3cccs3)nc12
InChIInChI=1S/C15H16N2S/c1-11-5-2-8-13-15(11)17-14(16-13)9-3-6-12-7-4-10-18-12/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,16,17)
InChIKeyKFDMBFJWGZCNGI-UHFFFAOYSA-N
MW256.37 g/mol
LogP4.11
Rot. Bonds4

About 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole

4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole (PubChem CID 60978360) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
PubChem CID60978360
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(CCCc3cccs3)nc12
InChIInChI=1S/C15H16N2S/c1-11-5-2-8-13-15(11)17-14(16-13)9-3-6-12-7-4-10-18-12/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,16,17)
InChIKeyKFDMBFJWGZCNGI-UHFFFAOYSA-N
XLogP4.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-2-(3-thiophen-2-ylpropyl)-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

2-[3-(2,3-dimethylphenyl)propyl]-4-methyl-1H-benzimidazole
CID 19000532
5-(4-methyl-1H-benzimidazol-2-yl)pentan-2-amine
CID 82846263
N-methyl-2-(4-methyl-1H-benzimidazol-2-yl)ethanamine
CID 26722492
2-(2-methoxyethyl)-4-methyl-1H-benzimidazole
CID 64722498
N-methyl-1-(4-methyl-1H-benzimidazol-2-yl)-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]methanamine
CID 58884472
2-(chloromethyl)-4-methyl-1H-benzimidazole
CID 12953834
2-(3-thiophen-2-ylpropyl)-3H-benzimidazol-5-ol
CID 81432482
6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978921
N-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50980427
2-benzyl-4-methyl-1H-benzimidazole
CID 12948781
2-methyl-5-(3-thiophen-2-ylpropyl)-1H-1,2,4-triazole-3-thione
CID 104602157
4-methylsulfonyl-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 82007690

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole (CID 60978360) is 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole is Cc1cccc2[nH]c(CCCc3cccs3)nc12.
What is the InChIKey of 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole?
The InChIKey is KFDMBFJWGZCNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-11-5-2-8-13-15(11)17-14(16-13)9-3-6-12-7-4-10-18-12/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,16,17).
What are the key properties of 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole?
4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole has a molecular weight of 256.37 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole is sourced from PubChem (CID 60978360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).