2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine

C17H21N3S — CID 82145246

IUPAC2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
SMILESCc1cc2nc(Cc3cccs3)n(C(C)CN)c2cc1C
InChIInChI=1S/C17H21N3S/c1-11-7-15-16(8-12(11)2)20(13(3)10-18)17(19-15)9-14-5-4-6-21-14/h4-8,13H,9-10,18H2,1-3H3
InChIKeyAPOJOJLKXQYZQK-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.83
Rot. Bonds4

About 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine

2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine (PubChem CID 82145246) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
PubChem CID82145246
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine
SMILESCc1cc2nc(Cc3cccs3)n(C(C)CN)c2cc1C
InChIInChI=1S/C17H21N3S/c1-11-7-15-16(8-12(11)2)20(13(3)10-18)17(19-15)9-14-5-4-6-21-14/h4-8,13H,9-10,18H2,1-3H3
InChIKeyAPOJOJLKXQYZQK-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine 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-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82145244
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 39157935
[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040104
2-[[1-butan-2-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 118427539
(2S)-4-methyl-2-[[1-(4-methylpentan-2-yl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoic acid
CID 90083786
2-[[1-(2,4-dimethylpentan-3-yl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]acetic acid
CID 126515150
1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonitrile
CID 65040473
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087376
N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123616405
2-(2-chloroethyl)-6-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazole
CID 63292395
5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 103592746
2-[1-(2-methylpropyl)-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]acetic acid
CID 82142130

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine?
The IUPAC name of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine (CID 82145246) is 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine?
The canonical SMILES for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine is Cc1cc2nc(Cc3cccs3)n(C(C)CN)c2cc1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine?
The InChIKey is APOJOJLKXQYZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-11-7-15-16(8-12(11)2)20(13(3)10-18)17(19-15)9-14-5-4-6-21-14/h4-8,13H,9-10,18H2,1-3H3.
What are the key properties of 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine?
2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(thiophen-2-ylmethyl)benzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82145246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).