2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol

C17H19N3O — CID 3123763

IUPAC2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
SMILES[H]/N=c1\n(CC)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-2-19-14-10-6-7-11-15(14)20(17(19)18)12-16(21)13-8-4-3-5-9-13/h3-11,16,18,21H,2,12H2,1H3/b18-17+
InChIKeyUECWBZIWYKDVKW-ISLYRVAYSA-N
MW281.36 g/mol
LogP2.68
Rot. Bonds4

About 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol

2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol (PubChem CID 3123763) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
PubChem CID3123763
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
SMILES[H]/N=c1\n(CC)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C17H19N3O/c1-2-19-14-10-6-7-11-15(14)20(17(19)18)12-16(21)13-8-4-3-5-9-13/h3-11,16,18,21H,2,12H2,1H3/b18-17+
InChIKeyUECWBZIWYKDVKW-ISLYRVAYSA-N
XLogP2.68
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-chlorophenyl)-2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol
CID 791772
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
CID 53314647
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanol
CID 3123771
1-(4-chlorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanol;hydrochloride
CID 2868453
(1S)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanol
CID 1111782
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-(4-methylphenyl)ethanol
CID 5218920
2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-1-phenylethanol
CID 2868077
1-(4-bromophenyl)-2-[2-imino-3-[(4-methylphenyl)methyl]benzimidazol-1-yl]ethanol
CID 71079180
(1R)-2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(3,4-dichlorophenyl)ethanol
CID 1121192
2-(3-ethyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
CID 2857928
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 3123773
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol?
The IUPAC name of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol (CID 3123763) is 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol is [H]/N=c1\n(CC)c2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol?
The InChIKey is UECWBZIWYKDVKW-ISLYRVAYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-19-14-10-6-7-11-15(14)20(17(19)18)12-16(21)13-8-4-3-5-9-13/h3-11,16,18,21H,2,12H2,1H3/b18-17+.
What are the key properties of 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol?
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol has a molecular weight of 281.36 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-phenylethanol is sourced from PubChem (CID 3123763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).