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

C22H22ClN3O — CID 6602700

IUPAC2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride
SMILESCl.[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/b23-22-;
InChIKeyUPGHLMZQYZBUNO-YJACDMIVSA-N
MW379.89 g/mol
LogP4.13
Rot. Bonds5

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

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride (PubChem CID 6602700) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride.

Molecular Properties

Compound Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride
PubChem CID6602700
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride
SMILESCl.[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/b23-22-;
InChIKeyUPGHLMZQYZBUNO-YJACDMIVSA-N
XLogP4.13
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.13
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;hydrochloride?
The IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride (CID 6602700) is 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride.
What is the SMILES notation for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride?
The canonical SMILES for 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride is Cl.[H]/N=c1/n(Cc2ccccc2)c2ccccc2n1CC(O)c1ccccc1.
What is the InChIKey of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride?
The InChIKey is UPGHLMZQYZBUNO-YJACDMIVSA-N. 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/b23-22-;.
What are the key properties of 2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride?
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-phenylethanol;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 4.13, 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;hydrochloride is sourced from PubChem (CID 6602700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).