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

C16H18ClN3O — CID 6603635

IUPAC2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H17N3O.ClH/c17-16-18(10-11-20)14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13;/h1-9,17,20H,10-12H2;1H/b17-16+;
InChIKeyCTZJVESZDQPDAX-CMBBICFISA-N
MW303.79 g/mol
LogP2.38
Rot. Bonds4

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

2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride (PubChem CID 6603635) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
PubChem CID6603635
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1
InChIInChI=1S/C16H17N3O.ClH/c17-16-18(10-11-20)14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13;/h1-9,17,20H,10-12H2;1H/b17-16+;
InChIKeyCTZJVESZDQPDAX-CMBBICFISA-N
XLogP2.38
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.38
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)ethanol;hydrochloride?
The IUPAC name of 2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride (CID 6603635) is 2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride is Cl.[H]/N=c1\n(CCO)c2ccccc2n1Cc1ccccc1.
What is the InChIKey of 2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
The InChIKey is CTZJVESZDQPDAX-CMBBICFISA-N. The full InChI is InChI=1S/C16H17N3O.ClH/c17-16-18(10-11-20)14-8-4-5-9-15(14)19(16)12-13-6-2-1-3-7-13;/h1-9,17,20H,10-12H2;1H/b17-16+;.
What are the key properties of 2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride?
2-(3-benzyl-2-iminobenzimidazol-1-yl)ethanol;hydrochloride has a molecular weight of 303.79 g/mol, XLogP of 2.38, 4 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)ethanol;hydrochloride is sourced from PubChem (CID 6603635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).