N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide

C21H24N4O3 — CID 15990292

IUPACN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O3/c1-14-6-4-5-7-15(14)20(26)22-16-12-18-19(24(3)21(27)23(18)2)13-17(16)25-8-10-28-11-9-25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
InChIKeyZHXHVDZOBNCYFN-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.27
Rot. Bonds3

About N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide

N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide (PubChem CID 15990292) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
PubChem CID15990292
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C
InChIInChI=1S/C21H24N4O3/c1-14-6-4-5-7-15(14)20(26)22-16-12-18-19(24(3)21(27)23(18)2)13-17(16)25-8-10-28-11-9-25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26)
InChIKeyZHXHVDZOBNCYFN-UHFFFAOYSA-N
XLogP2.27
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-Difluoro-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105698
4-Methyl-N-(2-(4-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 25105701
N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-4-vinylbenzamide
CID 25105702
2-{4-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-butyl}-isoindole-1,3-dione
CID 18187410
4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
CID 145704745
N-(4-Morpholinoanilinomethyl)phthalimide
CID 2731384
3-(4-methylanilino)-2-(2-morpholin-4-ylethyl)-3H-isoindol-1-one
CID 9550457
3-[1-[1-(2-methylbenzoyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 10093490
2,4,6-Trifluoro-N-[3-(1-methyl-piperidin-4-yl)-2,3-dihydro-1H-benzoimidazol-5-yl]-benzamide
CID 44395925
4-fluoro-N-(2-(4-(5-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 44573689
3,4-difluoro-N-(2-(4-(6-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)benzamide
CID 44573728
(S)-4-fluoro-N-(1-(4-(4-fluoro-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)propan-2-yl)benzamide
CID 44573768

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The IUPAC name of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide (CID 15990292) is N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide is Cc1ccccc1C(=O)Nc1cc2c(cc1N1CCOCC1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
The InChIKey is ZHXHVDZOBNCYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-6-4-5-7-15(14)20(26)22-16-12-18-19(24(3)21(27)23(18)2)13-17(16)25-8-10-28-11-9-25/h4-7,12-13H,8-11H2,1-3H3,(H,22,26).
What are the key properties of N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide?
N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide has a molecular weight of 380.45 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)-2-methylbenzamide is sourced from PubChem (CID 15990292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).