[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol

C12H13ClN2O2 — CID 166381140

IUPAC[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol
SMILESCOc1cccc(Cn2ccnc2CO)c1Cl
InChIInChI=1S/C12H13ClN2O2/c1-17-10-4-2-3-9(12(10)13)7-15-6-5-14-11(15)8-16/h2-6,16H,7-8H2,1H3
InChIKeyONCGRODUFLDWFL-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.09
Rot. Bonds4

About [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol

[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol (PubChem CID 166381140) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol
PubChem CID166381140
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol
SMILESCOc1cccc(Cn2ccnc2CO)c1Cl
InChIInChI=1S/C12H13ClN2O2/c1-17-10-4-2-3-9(12(10)13)7-15-6-5-14-11(15)8-16/h2-6,16H,7-8H2,1H3
InChIKeyONCGRODUFLDWFL-UHFFFAOYSA-N
XLogP2.09
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-methoxyphenyl)methyl]imidazol-2-yl]methanamine;hydrochloride
CID 162423000
[2-[(1-ethylimidazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 62735495
N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
ethane;1-[(2-methoxyphenyl)methyl]-2-methylimidazole
CID 144668203
2-[(3-bromophenyl)methyl]-1-[(2,3-dimethoxyphenyl)methyl]imidazole
CID 82561895
1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol
CID 126835821
[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol
CID 69208976
1-[(2-chloro-3-methoxyphenyl)methyl]pyrrolidin-3-ol;hydrochloride
CID 131703576
N-[[1-[(5-chloro-2-methoxyphenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62223776
N-[[1-[(3-chloro-2-fluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 102856727
[1-(3-methoxyphenyl)imidazol-2-yl]methanol
CID 119091305

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol (CID 166381140) is [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol is COc1cccc(Cn2ccnc2CO)c1Cl.
What is the InChIKey of [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol?
The InChIKey is ONCGRODUFLDWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-17-10-4-2-3-9(12(10)13)7-15-6-5-14-11(15)8-16/h2-6,16H,7-8H2,1H3.
What are the key properties of [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol?
[1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol has a molecular weight of 252.70 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-3-methoxyphenyl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 166381140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).