3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide

C22H34N4O3 — CID 66785202

IUPAC3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H34N4O3/c1-21(2,3)16-22(4,5)23-19(27)26-18-9-7-6-8-17(18)25(20(26)28)11-10-24-12-14-29-15-13-24/h6-9H,10-16H2,1-5H3,(H,23,27)
InChIKeyFNRWYDIUPYTGTG-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.91
Rot. Bonds5

About 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide

3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide (PubChem CID 66785202) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide
PubChem CID66785202
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide
SMILESCC(C)(C)CC(C)(C)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C22H34N4O3/c1-21(2,3)16-22(4,5)23-19(27)26-18-9-7-6-8-17(18)25(20(26)28)11-10-24-12-14-29-15-13-24/h6-9H,10-16H2,1-5H3,(H,23,27)
InChIKeyFNRWYDIUPYTGTG-UHFFFAOYSA-N
XLogP2.91
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide with MolForge

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Related Compounds

N-(4-methylcyclohexyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66784008
(2R)-4-methyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]pentanoic acid
CID 68918767
N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 69023962
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-(1-adamantylmethyl)-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 66783944
[(2S)-3,3-dimethyl-2-[[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carbonyl]amino]butanimidoyl]-hydrazinylidene-methylazanium
CID 143641847
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
2-(benzotriazol-1-yl)-2-methyl-N-(2-morpholin-4-ylethyl)propanamide
CID 10829295
1-[2-(4-methylphenyl)-4-(2-morpholin-4-ylethyl)imidazo[1,2-a]benzimidazol-1-yl]ethanone
CID 3703601

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide (CID 66785202) is 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide is CC(C)(C)CC(C)(C)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide?
The InChIKey is FNRWYDIUPYTGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-21(2,3)16-22(4,5)23-19(27)26-18-9-7-6-8-17(18)25(20(26)28)11-10-24-12-14-29-15-13-24/h6-9H,10-16H2,1-5H3,(H,23,27).
What are the key properties of 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide?
3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-2-oxo-N-(2,4,4-trimethylpentan-2-yl)benzimidazole-1-carboxamide is sourced from PubChem (CID 66785202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).