N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

C24H28N4O4 — CID 44576568

IUPACN-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NC1c2ccccc2CCC1O)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C24H28N4O4/c29-21-10-9-17-5-1-2-6-18(17)22(21)25-23(30)28-20-8-4-3-7-19(20)27(24(28)31)12-11-26-13-15-32-16-14-26/h1-8,21-22,29H,9-16H2,(H,25,30)
InChIKeyCNYUCQIDCSCYGQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP1.74
Rot. Bonds4

About N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 44576568) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID44576568
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC NameN-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NC1c2ccccc2CCC1O)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C24H28N4O4/c29-21-10-9-17-5-1-2-6-18(17)22(21)25-23(30)28-20-8-4-3-7-19(20)27(24(28)31)12-11-26-13-15-32-16-14-26/h1-8,21-22,29H,9-16H2,(H,25,30)
InChIKeyCNYUCQIDCSCYGQ-UHFFFAOYSA-N
XLogP1.74
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-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 N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (CID 44576568) is N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is O=C(NC1c2ccccc2CCC1O)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is CNYUCQIDCSCYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-21-10-9-17-5-1-2-6-18(17)22(21)25-23(30)28-20-8-4-3-7-19(20)27(24(28)31)12-11-26-13-15-32-16-14-26/h1-8,21-22,29H,9-16H2,(H,25,30).
What are the key properties of N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 44576568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).