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

C22H21ClN3O- — CID 53314647

IUPAC2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
SMILES[Cl-].[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C22H21N3O.ClH/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;1H/p-1/b23-22-;
InChIKeyUPGHLMZQYZBUNO-YJACDMIVSA-M
MW378.88 g/mol
LogP0.71
Rot. Bonds5

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

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride (PubChem CID 53314647) has the molecular formula C22H21ClN3O- and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride.

Molecular Properties

Compound Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
PubChem CID53314647
Molecular FormulaC22H21ClN3O-
Molecular Weight378.88 g/mol
Exact Mass378.14
IUPAC Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride
SMILES[Cl-].[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccccc1
InChIInChI=1S/C22H21N3O.ClH/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;1H/p-1/b23-22-;
InChIKeyUPGHLMZQYZBUNO-YJACDMIVSA-M
XLogP0.71
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 50.71
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 chloride?
The IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride (CID 53314647) is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride.
What is the SMILES notation for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride?
The canonical SMILES for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride is [Cl-].[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride?
The InChIKey is UPGHLMZQYZBUNO-YJACDMIVSA-M. The full InChI is InChI=1S/C22H21N3O.ClH/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;1H/p-1/b23-22-;.
What are the key properties of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride?
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol chloride has a molecular weight of 378.88 g/mol, XLogP of 0.71, 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 chloride is sourced from PubChem (CID 53314647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).