[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol

C12H13ClN2O — CID 105498426

IUPAC[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol
SMILESCCc1[nH]c(CO)nc1-c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-2-10-12(15-11(7-16)14-10)8-5-3-4-6-9(8)13/h3-6,16H,2,7H2,1H3,(H,14,15)
InChIKeyWWUPDOYQWJMFBH-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.78
Rot. Bonds3

About [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol

[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol (PubChem CID 105498426) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol
PubChem CID105498426
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol
SMILESCCc1[nH]c(CO)nc1-c1ccccc1Cl
InChIInChI=1S/C12H13ClN2O/c1-2-10-12(15-11(7-16)14-10)8-5-3-4-6-9(8)13/h3-6,16H,2,7H2,1H3,(H,14,15)
InChIKeyWWUPDOYQWJMFBH-UHFFFAOYSA-N
XLogP2.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-ethyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methanol
CID 105470027
[5-(2-chlorophenyl)-2H-triazol-4-yl]methanol
CID 117167800
4-(2-chlorophenyl)-5-ethyl-1,3-dihydroimidazol-2-one
CID 105479994
[5-ethyl-4-(3-methylphenyl)-1H-imidazol-2-yl]methanol
CID 105470026
methyl 2-(2-chlorophenyl)-5-ethyl-1H-imidazole-4-carboxylate
CID 43445072
5-bromo-2-(2-chlorophenyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106479966
5-(2-chlorophenyl)-4-ethyl-2-methyl-1,3-thiazole
CID 163581067
2-[2-(hydroxymethyl)-5-propan-2-yl-1H-imidazol-4-yl]phenol
CID 105490983
[3-(2-chlorophenyl)-2-pyridinyl]methanol
CID 154672762
5-(2-chlorophenyl)-6-ethylpyridin-2-amine
CID 155778431
3-(2-chlorophenyl)-4-ethyl-1-methylpyrazole
CID 123288377
5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 17147880

Frequently Asked Questions

What is the IUPAC name of [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol?
The IUPAC name of [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol (CID 105498426) is [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol.
What is the SMILES notation for [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol?
The canonical SMILES for [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol is CCc1[nH]c(CO)nc1-c1ccccc1Cl.
What is the InChIKey of [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol?
The InChIKey is WWUPDOYQWJMFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c1-2-10-12(15-11(7-16)14-10)8-5-3-4-6-9(8)13/h3-6,16H,2,7H2,1H3,(H,14,15).
What are the key properties of [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol?
[4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol has a molecular weight of 236.70 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-chlorophenyl)-5-ethyl-1H-imidazol-2-yl]methanol is sourced from PubChem (CID 105498426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).