3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide

C24H24N4O3 — CID 44576968

IUPAC3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C24H24N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-11H,12-17H2,(H,25,29)
InChIKeyISVXIBNOIJJZGK-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.37
Rot. Bonds4

About 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide

3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide (PubChem CID 44576968) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide
PubChem CID44576968
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C24H24N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-11H,12-17H2,(H,25,29)
InChIKeyISVXIBNOIJJZGK-UHFFFAOYSA-N
XLogP3.37
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide 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 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide (CID 44576968) is 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide is O=C(Nc1cccc2ccccc12)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide?
The InChIKey is ISVXIBNOIJJZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-23(25-20-9-5-7-18-6-1-2-8-19(18)20)28-22-11-4-3-10-21(22)27(24(28)30)13-12-26-14-16-31-17-15-26/h1-11H,12-17H2,(H,25,29).
What are the key properties of 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide?
3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-N-naphthalen-1-yl-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 44576968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).