5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one

C18H20N2O2 — CID 82174475

IUPAC5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one
SMILESCc1cc2c(cc1C(O)Cc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C18H20N2O2/c1-12-9-15-16(20(3)18(22)19(15)2)11-14(12)17(21)10-13-7-5-4-6-8-13/h4-9,11,17,21H,10H2,1-3H3
InChIKeyQCDZMIQVYMOXHW-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.46
Rot. Bonds3

About 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one

5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one (PubChem CID 82174475) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one
PubChem CID82174475
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one
SMILESCc1cc2c(cc1C(O)Cc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C18H20N2O2/c1-12-9-15-16(20(3)18(22)19(15)2)11-14(12)17(21)10-13-7-5-4-6-8-13/h4-9,11,17,21H,10H2,1-3H3
InChIKeyQCDZMIQVYMOXHW-UHFFFAOYSA-N
XLogP2.46
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,6R)-5,6-dihydroxy-1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]benzimidazol-2-one
CID 127045753
(5R,6R)-6-hydroxy-1,3-dimethyl-5-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[f]benzimidazol-2-one
CID 127045754
(5R,6S)-5,6-dihydroxy-1,3-dimethyl-6,7,8,9-tetrahydro-5H-cyclohepta[f]benzimidazol-2-one
CID 127046439
1H-Benzimidazol-2(3H)-one, 5-(2,2,2-trichloro-1-hydroxyethyl)-1,3-dimethyl-
CID 605681
5-{[4-(2-Fluorophenyl)-4-hydroxypiperidin-1-YL]methyl}-1,3-dimethyl-1,3-benzodiazol-2-one
CID 16676296
1-[2-(2-Fluorophenyl)-2-hydroxyethyl]-3-methylbenzimidazol-2-one
CID 42886008
1-[2-(2,4-Difluorophenyl)-2-hydroxyethyl]-3-ethylbenzimidazol-2-one
CID 53507243
1-[2-Hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one
CID 71888179
3-[2-[4-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 20288016
5-[3-(4-Benzylpiperidin-1-yl)-1-hydroxypropyl]-6-fluoro-1,3-dihydrobenzimidazol-2-one
CID 21465168
5-[3-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 21465197
5-Fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 21465226

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one?
The IUPAC name of 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one (CID 82174475) is 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one?
The canonical SMILES for 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one is Cc1cc2c(cc1C(O)Cc1ccccc1)n(C)c(=O)n2C.
What is the InChIKey of 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one?
The InChIKey is QCDZMIQVYMOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-9-15-16(20(3)18(22)19(15)2)11-14(12)17(21)10-13-7-5-4-6-8-13/h4-9,11,17,21H,10H2,1-3H3.
What are the key properties of 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one?
5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one has a molecular weight of 296.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxy-2-phenylethyl)-1,3,6-trimethylbenzimidazol-2-one is sourced from PubChem (CID 82174475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).