N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

C20H30N4O4 — CID 69023962

IUPACN-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESCCC[C@@H](CCO)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H30N4O4/c1-2-5-16(8-13-25)21-19(26)24-18-7-4-3-6-17(18)23(20(24)27)10-9-22-11-14-28-15-12-22/h3-4,6-7,16,25H,2,5,8-15H2,1H3,(H,21,26)/t16-/m0/s1
InChIKeyVCUUWZZGBONUAC-INIZCTEOSA-N
MW390.48 g/mol
LogP1.24
Rot. Bonds8

About N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 69023962) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID69023962
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESCCC[C@@H](CCO)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H30N4O4/c1-2-5-16(8-13-25)21-19(26)24-18-7-4-3-6-17(18)23(20(24)27)10-9-22-11-14-28-15-12-22/h3-4,6-7,16,25H,2,5,8-15H2,1H3,(H,21,26)/t16-/m0/s1
InChIKeyVCUUWZZGBONUAC-INIZCTEOSA-N
XLogP1.24
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-methyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]pentanoic acid
CID 68918767
N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide;hydrochloride
CID 11553970
N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66784008
3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide
CID 66785202
[(2S)-3,3-dimethyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]butanimidoyl]-hydrazinylidene-methylazanium
CID 143641847
N-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66783944
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
N-(2,3-dihydro-1H-inden-1-yl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66783995
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
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-butyl-2-oxobenzimidazole-1-carboxamide
CID 57435971
2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 47047269

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (CID 69023962) is N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is CCC[C@@H](CCO)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is VCUUWZZGBONUAC-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-2-5-16(8-13-25)21-19(26)24-18-7-4-3-6-17(18)23(20(24)27)10-9-22-11-14-28-15-12-22/h3-4,6-7,16,25H,2,5,8-15H2,1H3,(H,21,26)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 69023962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).