2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide

C22H30N4O3 — CID 47047269

IUPAC2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
SMILESCC(CN1CCOCC1)NC(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21
InChIInChI=1S/C22H30N4O3/c1-17(15-24-11-13-29-14-12-24)23-21(27)16-25-19-9-5-6-10-20(19)26(22(25)28)18-7-3-2-4-8-18/h5-7,9-10,17H,2-4,8,11-16H2,1H3,(H,23,27)
InChIKeyARGYOHSEOBZUOV-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.05
Rot. Bonds6

About 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide

2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide (PubChem CID 47047269) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
PubChem CID47047269
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
SMILESCC(CN1CCOCC1)NC(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21
InChIInChI=1S/C22H30N4O3/c1-17(15-24-11-13-29-14-12-24)23-21(27)16-25-19-9-5-6-10-20(19)26(22(25)28)18-7-3-2-4-8-18/h5-7,9-10,17H,2-4,8,11-16H2,1H3,(H,23,27)
InChIKeyARGYOHSEOBZUOV-UHFFFAOYSA-N
XLogP2.05
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide with MolForge

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Related Compounds

2-[4-[[2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 47048160
2-(2-hydroxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 78990786
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,4'-imidazolidine]-1'-yl]-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 94116551
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 17495918
3-amino-N-(1-morpholin-4-ylpropan-2-yl)propanamide;dihydrochloride
CID 119851619
N-[(3S)-1-hydroxyhexan-3-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
CID 69023962
2-amino-N-(1-morpholin-4-ylpropan-2-yl)-2-phenylacetamide;dihydrochloride
CID 119851564
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)butanamide
CID 79201322
4-hydroxy-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 79201323
6-(methylamino)-N-(1-morpholin-4-ylpropan-2-yl)pyridine-2-carboxamide
CID 62239352
3-carbamothioyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 61499952
2-[3-(3-methylphenyl)sulfonyl-2-oxobenzimidazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 42792797

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The IUPAC name of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide (CID 47047269) is 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The canonical SMILES for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide is CC(CN1CCOCC1)NC(=O)Cn1c(=O)n(C2=CCCCC2)c2ccccc21.
What is the InChIKey of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
The InChIKey is ARGYOHSEOBZUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-17(15-24-11-13-29-14-12-24)23-21(27)16-25-19-9-5-6-10-20(19)26(22(25)28)18-7-3-2-4-8-18/h5-7,9-10,17H,2-4,8,11-16H2,1H3,(H,23,27).
What are the key properties of 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide?
2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide has a molecular weight of 398.51 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexen-1-yl)-2-oxobenzimidazol-1-yl]-N-(1-morpholin-4-ylpropan-2-yl)acetamide is sourced from PubChem (CID 47047269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).