N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

C23H26N4O4 — CID 44576567

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NC1CCOc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C23H26N4O4/c28-22(24-18-9-14-31-21-8-4-1-5-17(18)21)27-20-7-3-2-6-19(20)26(23(27)29)11-10-25-12-15-30-16-13-25/h1-8,18H,9-16H2,(H,24,28)
InChIKeyXMPBXUZPAWNGDE-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.22
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 44576567) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID44576567
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NC1CCOc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C23H26N4O4/c28-22(24-18-9-14-31-21-8-4-1-5-17(18)21)27-20-7-3-2-6-19(20)26(23(27)29)11-10-25-12-15-30-16-13-25/h1-8,18H,9-16H2,(H,24,28)
InChIKeyXMPBXUZPAWNGDE-UHFFFAOYSA-N
XLogP2.22
TPSA77.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (CID 44576567) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is O=C(NC1CCOc2ccccc21)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is XMPBXUZPAWNGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c28-22(24-18-9-14-31-21-8-4-1-5-17(18)21)27-20-7-3-2-6-19(20)26(23(27)29)11-10-25-12-15-30-16-13-25/h1-8,18H,9-16H2,(H,24,28).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 44576567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).