1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one

C23H22N2O3 — CID 21492519

IUPAC1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
SMILESO=c1n(CC(O)c2ccccc2)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-21(17-9-3-1-4-10-17)15-24-19-13-7-8-14-20(19)25(23(24)28)16-22(27)18-11-5-2-6-12-18/h1-14,21-22,26-27H,15-16H2
InChIKeyVDUQJADUZSMRNM-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.27
Rot. Bonds6

About 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one

1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one (PubChem CID 21492519) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
PubChem CID21492519
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
SMILESO=c1n(CC(O)c2ccccc2)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C23H22N2O3/c26-21(17-9-3-1-4-10-17)15-24-19-13-7-8-14-20(19)25(23(24)28)16-22(27)18-11-5-2-6-12-18/h1-14,21-22,26-27H,15-16H2
InChIKeyVDUQJADUZSMRNM-UHFFFAOYSA-N
XLogP3.27
TPSA67.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 11567786
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
CID 3123763
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-[3-[(2R)-2-hydroxybutyl]-2-oxobenzimidazol-1-yl]acetic acid
CID 95735437
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
1-(2-hydroxy-2-phenylethyl)-6-(trifluoromethyl)pyridin-2-one
CID 81319775
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
3-(2-hydroxy-2-phenylethyl)pyrimidin-4-one
CID 63769900
1-[(2S)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]ethyl]-3-methylbenzimidazol-2-one
CID 97009751
3-(2-hydroxy-2-phenylethyl)-5-methyl-1,3-benzoxazol-2-one
CID 91356447

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one?
The IUPAC name of 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one (CID 21492519) is 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one.
What is the SMILES notation for 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one?
The canonical SMILES for 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one is O=c1n(CC(O)c2ccccc2)c2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one?
The InChIKey is VDUQJADUZSMRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21(17-9-3-1-4-10-17)15-24-19-13-7-8-14-20(19)25(23(24)28)16-22(27)18-11-5-2-6-12-18/h1-14,21-22,26-27H,15-16H2.
What are the key properties of 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one?
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one is sourced from PubChem (CID 21492519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).