3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one

C21H23N3O3 — CID 70740123

IUPAC3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one
SMILESCn1c(=O)n(CCc2ccccc2)c2ccc(C(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H23N3O3/c1-22-19-15-17(20(25)23-11-13-27-14-12-23)7-8-18(19)24(21(22)26)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyLJYHYSIGUSDZAG-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.06
Rot. Bonds4

About 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one

3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one (PubChem CID 70740123) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one
PubChem CID70740123
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one
SMILESCn1c(=O)n(CCc2ccccc2)c2ccc(C(=O)N3CCOCC3)cc21
InChIInChI=1S/C21H23N3O3/c1-22-19-15-17(20(25)23-11-13-27-14-12-23)7-8-18(19)24(21(22)26)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
InChIKeyLJYHYSIGUSDZAG-UHFFFAOYSA-N
XLogP2.06
TPSA56.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-oxo-1-(2-phenylethyl)benzimidazole-5-carboxylic acid
CID 50958155
2,2-dimethyl-6-(morpholine-4-carbonyl)-4-(2-phenylethyl)-1,4-benzoxazin-3-one
CID 1450878
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
[3-(3,3-dimethylbutyl)phenyl]-morpholin-4-ylmethanone
CID 147198706
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666905
1-(2,2-dimethylpropyl)-3-methyl-5-[5-(morpholine-4-carbonyl)-3-pyridinyl]imidazo[4,5-b]pyridin-2-one
CID 54761745
(2R)-2-[4-(morpholine-4-carbonyl)phenyl]-3-(2-phenylethyl)-1,3-thiazolidin-4-one
CID 1209526
3-(2-ethoxyethyl)-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
CID 70729310
1,3-dimethyl-5-[4-(2-methylpropanoyl)piperazine-1-carbonyl]benzimidazol-2-one
CID 110800287
ethane;(3-ethylphenyl)-morpholin-4-ylmethanone
CID 143725238
5-[4-(2-ethylbutanoyl)piperazine-1-carbonyl]-1,3-dimethylbenzimidazol-2-one
CID 110801795

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one?
The IUPAC name of 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one (CID 70740123) is 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one.
What is the SMILES notation for 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one?
The canonical SMILES for 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one is Cn1c(=O)n(CCc2ccccc2)c2ccc(C(=O)N3CCOCC3)cc21.
What is the InChIKey of 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one?
The InChIKey is LJYHYSIGUSDZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-22-19-15-17(20(25)23-11-13-27-14-12-23)7-8-18(19)24(21(22)26)10-9-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3.
What are the key properties of 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one?
3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(morpholine-4-carbonyl)-1-(2-phenylethyl)benzimidazol-2-one is sourced from PubChem (CID 70740123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).