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

C21H30N4O3 — CID 66784008

IUPACN-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESCC1CCC(NC(=O)n2c(=O)n(CCN3CCOCC3)c3ccccc32)CC1
InChIInChI=1S/C21H30N4O3/c1-16-6-8-17(9-7-16)22-20(26)25-19-5-3-2-4-18(19)24(21(25)27)11-10-23-12-14-28-15-13-23/h2-5,16-17H,6-15H2,1H3,(H,22,26)
InChIKeyWDTGFDSLWUVLQQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.27
Rot. Bonds4

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

N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 66784008) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID66784008
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESCC1CCC(NC(=O)n2c(=O)n(CCN3CCOCC3)c3ccccc32)CC1
InChIInChI=1S/C21H30N4O3/c1-16-6-8-17(9-7-16)22-20(26)25-19-5-3-2-4-18(19)24(21(25)27)11-10-23-12-14-28-15-13-23/h2-5,16-17H,6-15H2,1H3,(H,22,26)
InChIKeyWDTGFDSLWUVLQQ-UHFFFAOYSA-N
XLogP2.27
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66783995
3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide
CID 66785202
N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 69023962
(2R)-4-methyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]pentanoic acid
CID 68918767
N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66783944
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide;hydrochloride
CID 11553970
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
N-(4-methylcyclohexyl)-2-(2-morpholin-4-ylethyl)-1-oxo-6-phenylpyrrolo[1,2-a]pyrazine-3-carboxamide
CID 71172246
1-[6-(methylamino)hexyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 21273406
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide
CID 143642064
5-(4-fluorophenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxoquinoline-3-carboxamide
CID 175869727

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (CID 66784008) is N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is CC1CCC(NC(=O)n2c(=O)n(CCN3CCOCC3)c3ccccc32)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is WDTGFDSLWUVLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-16-6-8-17(9-7-16)22-20(26)25-19-5-3-2-4-18(19)24(21(25)27)11-10-23-12-14-28-15-13-23/h2-5,16-17H,6-15H2,1H3,(H,22,26).
What are the key properties of N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 66784008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).