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

C22H21N3O — CID 658175

IUPAC2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C22H21N3O/c23-22-24(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25(22)16-21(26)18-11-5-2-6-12-18/h1-14,21,23,26H,15-16H2/b23-22-
InChIKeyJBLBJLSLNPIWIC-FCQUAONHSA-N
MW343.43 g/mol
LogP3.70
Rot. Bonds5

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

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol (PubChem CID 658175) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
PubChem CID658175
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol
SMILES[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C22H21N3O/c23-22-24(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25(22)16-21(26)18-11-5-2-6-12-18/h1-14,21,23,26H,15-16H2/b23-22-
InChIKeyJBLBJLSLNPIWIC-FCQUAONHSA-N
XLogP3.70
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol?
The IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol (CID 658175) is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol is [H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol?
The InChIKey is JBLBJLSLNPIWIC-FCQUAONHSA-N. The full InChI is InChI=1S/C22H21N3O/c23-22-24(15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25(22)16-21(26)18-11-5-2-6-12-18/h1-14,21,23,26H,15-16H2/b23-22-.
What are the key properties of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol?
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol has a molecular weight of 343.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol is sourced from PubChem (CID 658175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).