1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one

C18H22N4O2 — CID 71677594

IUPAC1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one
SMILESCC(CNCc1ccc2c(c1)n(C)c(=O)n2C)Oc1ccccn1
InChIInChI=1S/C18H22N4O2/c1-13(24-17-6-4-5-9-20-17)11-19-12-14-7-8-15-16(10-14)22(3)18(23)21(15)2/h4-10,13,19H,11-12H2,1-3H3
InChIKeyUDXRDKHCRUHVEI-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.83
Rot. Bonds6

About 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one

1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one (PubChem CID 71677594) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one
PubChem CID71677594
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one
SMILESCC(CNCc1ccc2c(c1)n(C)c(=O)n2C)Oc1ccccn1
InChIInChI=1S/C18H22N4O2/c1-13(24-17-6-4-5-9-20-17)11-19-12-14-7-8-15-16(10-14)22(3)18(23)21(15)2/h4-10,13,19H,11-12H2,1-3H3
InChIKeyUDXRDKHCRUHVEI-UHFFFAOYSA-N
XLogP1.83
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)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-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one?
The IUPAC name of 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one (CID 71677594) is 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one.
What is the SMILES notation for 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one?
The canonical SMILES for 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one is CC(CNCc1ccc2c(c1)n(C)c(=O)n2C)Oc1ccccn1.
What is the InChIKey of 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one?
The InChIKey is UDXRDKHCRUHVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(24-17-6-4-5-9-20-17)11-19-12-14-7-8-15-16(10-14)22(3)18(23)21(15)2/h4-10,13,19H,11-12H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one?
1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(2-pyridin-2-yloxypropylamino)methyl]benzimidazol-2-one is sourced from PubChem (CID 71677594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).