2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine

C12H11N3S — CID 79802554

IUPAC2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
SMILESCc1cscc1-c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C12H11N3S/c1-7-5-16-6-9(7)12-14-10-3-2-8(13)4-11(10)15-12/h2-6H,13H2,1H3,(H,14,15)
InChIKeyGZGOAGUSVCPHKA-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.18
Rot. Bonds1

About 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine

2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine (PubChem CID 79802554) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
PubChem CID79802554
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine
SMILESCc1cscc1-c1nc2ccc(N)cc2[nH]1
InChIInChI=1S/C12H11N3S/c1-7-5-16-6-9(7)12-14-10-3-2-8(13)4-11(10)15-12/h2-6H,13H2,1H3,(H,14,15)
InChIKeyGZGOAGUSVCPHKA-UHFFFAOYSA-N
XLogP3.18
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine?
The IUPAC name of 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine (CID 79802554) is 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine?
The canonical SMILES for 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine is Cc1cscc1-c1nc2ccc(N)cc2[nH]1.
What is the InChIKey of 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine?
The InChIKey is GZGOAGUSVCPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-7-5-16-6-9(7)12-14-10-3-2-8(13)4-11(10)15-12/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine?
2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine has a molecular weight of 229.31 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylthiophen-3-yl)-3H-benzimidazol-5-amine is sourced from PubChem (CID 79802554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).