1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

C19H17N3S — CID 939938

IUPAC1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESCc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1
InChIInChI=1S/C19H17N3S/c1-14-4-7-16(8-5-14)22-13-21-18-11-15(6-9-19(18)22)20-12-17-3-2-10-23-17/h2-11,13,20H,12H2,1H3
InChIKeyKGGGSSIAFHGUHY-UHFFFAOYSA-N
MW319.43 g/mol
LogP5.01
Rot. Bonds4

About 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine (PubChem CID 939938) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
PubChem CID939938
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESCc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1
InChIInChI=1S/C19H17N3S/c1-14-4-7-16(8-5-14)22-13-21-18-11-15(6-9-19(18)22)20-12-17-3-2-10-23-17/h2-11,13,20H,12H2,1H3
InChIKeyKGGGSSIAFHGUHY-UHFFFAOYSA-N
XLogP5.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)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 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine (CID 939938) is 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine is Cc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is KGGGSSIAFHGUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-14-4-7-16(8-5-14)22-13-21-18-11-15(6-9-19(18)22)20-12-17-3-2-10-23-17/h2-11,13,20H,12H2,1H3.
What are the key properties of 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 319.43 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 939938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).