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

C20H28N4O3 — CID 44577004

IUPACN-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NC1CCCCC1)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H28N4O3/c25-19(21-16-6-2-1-3-7-16)24-18-9-5-4-8-17(18)23(20(24)26)11-10-22-12-14-27-15-13-22/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,25)
InChIKeyJHBQPAAZUBDTAT-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.03
Rot. Bonds4

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

N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 44577004) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID44577004
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESO=C(NC1CCCCC1)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H28N4O3/c25-19(21-16-6-2-1-3-7-16)24-18-9-5-4-8-17(18)23(20(24)26)11-10-22-12-14-27-15-13-22/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,25)
InChIKeyJHBQPAAZUBDTAT-UHFFFAOYSA-N
XLogP2.03
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
CID 88638
CJ-040714
CID 11350913
Bimu 1
CID 9929033
Itasetron
CID 6918106
1-[4-(4-phenylpiperazin-1-yl)butyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369455
1-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzo[d]imidazol-2(3H)-one
CID 23369457
3-ethyl-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 130946
3-Isopropyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
CID 131725
3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-oxobenzimidazole-1-carboxamide
CID 14762874
(R)-3-(2-morpholinoethyl)-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576969
Benzimidazolone scaffold, 15g
CID 25256850
Benzimidazolone scaffold, 15c
CID 42618263

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (CID 44577004) is N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is O=C(NC1CCCCC1)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is JHBQPAAZUBDTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c25-19(21-16-6-2-1-3-7-16)24-18-9-5-4-8-17(18)23(20(24)26)11-10-22-12-14-27-15-13-22/h4-5,8-9,16H,1-3,6-7,10-15H2,(H,21,25).
What are the key properties of N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 44577004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).