N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide

C18H18N4O3 — CID 110701288

IUPACN-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C18H18N4O3/c23-17(12-4-3-6-14-16(12)21-18(24)20-14)19-13-5-1-2-7-15(13)22-8-10-25-11-9-22/h1-7H,8-11H2,(H,19,23)(H2,20,21,24)
InChIKeyOALZPQXUALCRGF-UHFFFAOYSA-N
MW338.37 g/mol
LogP1.95
Rot. Bonds3

About N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide

N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide (PubChem CID 110701288) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
PubChem CID110701288
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOCC1)c1cccc2[nH]c(=O)[nH]c12
InChIInChI=1S/C18H18N4O3/c23-17(12-4-3-6-14-16(12)21-18(24)20-14)19-13-5-1-2-7-15(13)22-8-10-25-11-9-22/h1-7H,8-11H2,(H,19,23)(H2,20,21,24)
InChIKeyOALZPQXUALCRGF-UHFFFAOYSA-N
XLogP1.95
TPSA90.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-ylphenyl)-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136832134
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CID 110862415
2-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)methylamino]-N-(2-morpholin-4-ylphenyl)benzamide
CID 168537948
2,4-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 3662242
2,5-difluoro-N-(2-morpholin-4-ylphenyl)benzamide
CID 78803357
N-(5-bromo-2-morpholin-4-ylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 55363784
2-(dimethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110299292
6-fluoro-N-(2-morpholin-4-ylphenyl)-1H-indole-3-carboxamide
CID 113206299
N-(2-morpholin-4-ylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 2815283
2-methyl-N-(2-morpholin-4-ylphenyl)-1H-indole-5-carboxamide
CID 110695108
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
4-[(R)-methylsulfinyl]-N-(2-morpholin-4-ylphenyl)benzamide
CID 95332749

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide (CID 110701288) is N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide is O=C(Nc1ccccc1N1CCOCC1)c1cccc2[nH]c(=O)[nH]c12.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
The InChIKey is OALZPQXUALCRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c23-17(12-4-3-6-14-16(12)21-18(24)20-14)19-13-5-1-2-7-15(13)22-8-10-25-11-9-22/h1-7H,8-11H2,(H,19,23)(H2,20,21,24).
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide?
N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide is sourced from PubChem (CID 110701288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).