(4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride

C15H15Cl2N3O — CID 70471779

IUPAC(4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride
SMILESCl.OC(c1ccc(Cl)cc1)C1(n2ccnc2)C=CCN=C1
InChIInChI=1S/C15H14ClN3O.ClH/c16-13-4-2-12(3-5-13)14(20)15(6-1-7-17-10-15)19-9-8-18-11-19;/h1-6,8-11,14,20H,7H2;1H
InChIKeyTZCPFYWCWVREQG-UHFFFAOYSA-N
MW324.21 g/mol
LogP3.03
Rot. Bonds3

About (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride

(4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride (PubChem CID 70471779) has the molecular formula C15H15Cl2N3O and a molecular weight of 324.21 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride
PubChem CID70471779
Molecular FormulaC15H15Cl2N3O
Molecular Weight324.21 g/mol
Exact Mass323.06
IUPAC Name(4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride
SMILESCl.OC(c1ccc(Cl)cc1)C1(n2ccnc2)C=CCN=C1
InChIInChI=1S/C15H14ClN3O.ClH/c16-13-4-2-12(3-5-13)14(20)15(6-1-7-17-10-15)19-9-8-18-11-19;/h1-6,8-11,14,20H,7H2;1H
InChIKeyTZCPFYWCWVREQG-UHFFFAOYSA-N
XLogP3.03
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]imidazole
CID 174800005
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
2-tert-butylsulfanyl-1-(4-chlorophenyl)-2-imidazol-1-ylethanol
CID 46230739
1-[(4-chlorophenyl)-(4-chlorophenyl)sulfanylmethyl]imidazole
CID 70611026
(2S)-2-[(4-chlorophenyl)-hydroxymethyl]-2-methylcyclopentan-1-one
CID 101389876
1-(4-chlorophenyl)-1-imidazol-1-yl-3,3-dimethylbutan-2-one
CID 57000012
1-adamantyl-(4-chlorophenyl)methanol
CID 55186220
1-[(4-chlorophenyl)-hydroxymethyl]cyclopropane-1-carboxylic acid
CID 84690733
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
1-[(R)-(4-chlorophenyl)-(4-pyrrol-1-ylphenyl)methyl]imidazole
CID 57395780
[2-[1-(4-chlorophenyl)propyl]-2,5,5-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
CID 19990543
4-chloro-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]benzenesulfonamide
CID 51429093

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride?
The IUPAC name of (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride (CID 70471779) is (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride is Cl.OC(c1ccc(Cl)cc1)C1(n2ccnc2)C=CCN=C1.
What is the InChIKey of (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride?
The InChIKey is TZCPFYWCWVREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O.ClH/c16-13-4-2-12(3-5-13)14(20)15(6-1-7-17-10-15)19-9-8-18-11-19;/h1-6,8-11,14,20H,7H2;1H.
What are the key properties of (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride?
(4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride has a molecular weight of 324.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-imidazol-1-yl-2H-pyridin-5-yl)methanol;hydrochloride is sourced from PubChem (CID 70471779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).