1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine

C18H15N3S — CID 950037

IUPAC1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1
InChIInChI=1S/C18H15N3S/c1-2-5-15(6-3-1)21-13-20-17-11-14(8-9-18(17)21)19-12-16-7-4-10-22-16/h1-11,13,19H,12H2
InChIKeyIMVHBRRZRKPRIQ-UHFFFAOYSA-N
MW305.41 g/mol
LogP4.70
Rot. Bonds4

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

1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine (PubChem CID 950037) has the molecular formula C18H15N3S and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
PubChem CID950037
Molecular FormulaC18H15N3S
Molecular Weight305.41 g/mol
Exact Mass305.10
IUPAC Name1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine
SMILESc1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1
InChIInChI=1S/C18H15N3S/c1-2-5-15(6-3-1)21-13-20-17-11-14(8-9-18(17)21)19-12-16-7-4-10-22-16/h1-11,13,19H,12H2
InChIKeyIMVHBRRZRKPRIQ-UHFFFAOYSA-N
XLogP4.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-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-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine (CID 950037) is 1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The canonical SMILES for 1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine is c1ccc(-n2cnc3cc(NCc4cccs4)ccc32)cc1.
What is the InChIKey of 1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
The InChIKey is IMVHBRRZRKPRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3S/c1-2-5-15(6-3-1)21-13-20-17-11-14(8-9-18(17)21)19-12-16-7-4-10-22-16/h1-11,13,19H,12H2.
What are the key properties of 1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine?
1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine has a molecular weight of 305.41 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(thiophen-2-ylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 950037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).