1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

C25H24N4O2 — CID 11567786

IUPAC1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nc3ccccc3n2CC(O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N4O2/c1-2-27-21-14-8-9-15-22(21)29(25(27)31)17-24-26-19-12-6-7-13-20(19)28(24)16-23(30)18-10-4-3-5-11-18/h3-15,23,30H,2,16-17H2,1H3
InChIKeySKHGPUQEYZKHHD-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.95
Rot. Bonds6

About 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one

1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one (PubChem CID 11567786) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
PubChem CID11567786
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nc3ccccc3n2CC(O)c2ccccc2)c2ccccc21
InChIInChI=1S/C25H24N4O2/c1-2-27-21-14-8-9-15-22(21)29(25(27)31)17-24-26-19-12-6-7-13-20(19)28(24)16-23(30)18-10-4-3-5-11-18/h3-15,23,30H,2,16-17H2,1H3
InChIKeySKHGPUQEYZKHHD-UHFFFAOYSA-N
XLogP3.95
TPSA64.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
1,3-bis(2-hydroxy-2-phenylethyl)benzimidazol-2-one
CID 21492519
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17471163
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
6-[3-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]hexanoic acid
CID 15956454
2-(1-ethylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 79754584
2-(1-ethylbenzimidazol-2-yl)-1-(4-iodophenyl)ethanol
CID 115818620
N-[(1S)-1-[1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazol-2-yl]ethyl]acetamide
CID 25486343
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one (CID 11567786) is 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one is CCn1c(=O)n(Cc2nc3ccccc3n2CC(O)c2ccccc2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
The InChIKey is SKHGPUQEYZKHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-2-27-21-14-8-9-15-22(21)29(25(27)31)17-24-26-19-12-6-7-13-20(19)28(24)16-23(30)18-10-4-3-5-11-18/h3-15,23,30H,2,16-17H2,1H3.
What are the key properties of 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one?
1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one has a molecular weight of 412.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(2-hydroxy-2-phenylethyl)benzimidazol-2-yl]methyl]benzimidazol-2-one is sourced from PubChem (CID 11567786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).