1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one

C15H17N3OS — CID 6485901

IUPAC1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNCc3cccs3)ccc21
InChIInChI=1S/C15H17N3OS/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3
InChIKeyIOCWIGHEFXQLMG-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.23
Rot. Bonds4

About 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one

1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one (PubChem CID 6485901) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one
PubChem CID6485901
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(CNCc3cccs3)ccc21
InChIInChI=1S/C15H17N3OS/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3
InChIKeyIOCWIGHEFXQLMG-UHFFFAOYSA-N
XLogP2.23
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one 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 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one (CID 6485901) is 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one is Cn1c(=O)n(C)c2cc(CNCc3cccs3)ccc21.
What is the InChIKey of 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one?
The InChIKey is IOCWIGHEFXQLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h3-8,16H,9-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one?
1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one has a molecular weight of 287.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(thiophen-2-ylmethylamino)methyl]benzimidazol-2-one is sourced from PubChem (CID 6485901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).