2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride

C19H24ClN3O — CID 16682339

IUPAC2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)c1ccc(C)cc1
InChIInChI=1S/C19H23N3O.ClH/c1-3-12-21-16-6-4-5-7-17(16)22(19(21)20)13-18(23)15-10-8-14(2)9-11-15;/h4-11,18,20,23H,3,12-13H2,1-2H3;1H/b20-19+;
InChIKeyCMTTWOOAQZUXGO-RZLHGTIFSA-N
MW345.87 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride

2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride (PubChem CID 16682339) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride
PubChem CID16682339
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride
SMILESCl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)c1ccc(C)cc1
InChIInChI=1S/C19H23N3O.ClH/c1-3-12-21-16-6-4-5-7-17(16)22(19(21)20)13-18(23)15-10-8-14(2)9-11-15;/h4-11,18,20,23H,3,12-13H2,1-2H3;1H/b20-19+;
InChIKeyCMTTWOOAQZUXGO-RZLHGTIFSA-N
XLogP3.80
TPSA53.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
The IUPAC name of 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride (CID 16682339) is 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride is Cl.[H]/N=c1\n(CCC)c2ccccc2n1CC(O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
The InChIKey is CMTTWOOAQZUXGO-RZLHGTIFSA-N. The full InChI is InChI=1S/C19H23N3O.ClH/c1-3-12-21-16-6-4-5-7-17(16)22(19(21)20)13-18(23)15-10-8-14(2)9-11-15;/h4-11,18,20,23H,3,12-13H2,1-2H3;1H/b20-19+;.
What are the key properties of 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride?
2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanol;hydrochloride is sourced from PubChem (CID 16682339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).