2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride

C16H17ClFN3O — CID 2932270

IUPAC2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H16FN3O.ClH/c17-13-6-2-1-5-12(13)11-20-15-8-4-3-7-14(15)19(9-10-21)16(20)18;/h1-8,18,21H,9-11H2;1H/b18-16+;
InChIKeyKMLAGGURBKCBBK-HYNBPGMHSA-N
MW321.78 g/mol
LogP2.52
Rot. Bonds4

About 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride

2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride (PubChem CID 2932270) has the molecular formula C16H17ClFN3O and a molecular weight of 321.78 g/mol. Its IUPAC name is 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
PubChem CID2932270
Molecular FormulaC16H17ClFN3O
Molecular Weight321.78 g/mol
Exact Mass321.10
IUPAC Name2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1F
InChIInChI=1S/C16H16FN3O.ClH/c17-13-6-2-1-5-12(13)11-20-15-8-4-3-7-14(15)19(9-10-21)16(20)18;/h1-8,18,21H,9-11H2;1H/b18-16+;
InChIKeyKMLAGGURBKCBBK-HYNBPGMHSA-N
XLogP2.52
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.78
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride?
The IUPAC name of 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride (CID 2932270) is 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride is Cl.[H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1F.
What is the InChIKey of 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride?
The InChIKey is KMLAGGURBKCBBK-HYNBPGMHSA-N. The full InChI is InChI=1S/C16H16FN3O.ClH/c17-13-6-2-1-5-12(13)11-20-15-8-4-3-7-14(15)19(9-10-21)16(20)18;/h1-8,18,21H,9-11H2;1H/b18-16+;.
What are the key properties of 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride?
2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride has a molecular weight of 321.78 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-fluorophenyl)methyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride is sourced from PubChem (CID 2932270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).