1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol

C12H13ClN2O — CID 66771865

IUPAC1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ncc[nH]2)cc1Cl
InChIInChI=1S/C12H13ClN2O/c1-8-3-4-9(7-10(8)13)12(2,16)11-14-5-6-15-11/h3-7,16H,1-2H3,(H,14,15)
InChIKeyNNRBUEANRNHHCW-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.63
Rot. Bonds2

About 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol

1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol (PubChem CID 66771865) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol
PubChem CID66771865
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol
SMILESCc1ccc(C(C)(O)c2ncc[nH]2)cc1Cl
InChIInChI=1S/C12H13ClN2O/c1-8-3-4-9(7-10(8)13)12(2,16)11-14-5-6-15-11/h3-7,16H,1-2H3,(H,14,15)
InChIKeyNNRBUEANRNHHCW-UHFFFAOYSA-N
XLogP2.63
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol (CID 66771865) is 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol is Cc1ccc(C(C)(O)c2ncc[nH]2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol?
The InChIKey is NNRBUEANRNHHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-8-3-4-9(7-10(8)13)12(2,16)11-14-5-6-15-11/h3-7,16H,1-2H3,(H,14,15).
What are the key properties of 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol?
1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol has a molecular weight of 236.70 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-1-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 66771865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).