(4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol

C11H10Cl2N2O — CID 2859054

IUPAC(4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol
SMILESCn1c(C(O)c2ccccc2)nc(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-15-10(13)9(12)14-11(15)8(16)7-5-3-2-4-6-7/h2-6,8,16H,1H3
InChIKeyNNNUPIDHCSWPKH-UHFFFAOYSA-N
MW257.12 g/mol
LogP2.81
Rot. Bonds2

About (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol

(4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol (PubChem CID 2859054) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol
PubChem CID2859054
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name(4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol
SMILESCn1c(C(O)c2ccccc2)nc(Cl)c1Cl
InChIInChI=1S/C11H10Cl2N2O/c1-15-10(13)9(12)14-11(15)8(16)7-5-3-2-4-6-7/h2-6,8,16H,1H3
InChIKeyNNNUPIDHCSWPKH-UHFFFAOYSA-N
XLogP2.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
(5-chloro-1-methyl-1H-imidazol-2-yl)(diphenyl)methanol
CID 3795291
(5-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 650470
(4,5-Dichloro-1-methylimidazol-2-yl)-(2-fluorophenyl)methanol
CID 646450
(4-bromophenyl)(4,5-dichloro-1-methyl-1H-imidazol-2-yl)methanol
CID 3123550
(4-chlorophenyl)(4,5-dichloro-1-methyl-1H-imidazol-2-yl)methanol
CID 658852
(4-chloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 661604
2-(3-Methylimidazol-3-ium-1-yl)-1-phenylethanol bromide
CID 13763387
2-Imidazol-1-yl-1-phenylethanol;hydrochloride
CID 45265543
(1-Methylimidazol-2-yl)-(4-methylphenyl)methanol
CID 2890454
(4-Fluorophenyl)(1-methyl-1H-imidazol-2-YL)methanol
CID 11637052

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol?
The IUPAC name of (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol (CID 2859054) is (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol.
What is the SMILES notation for (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol?
The canonical SMILES for (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol is Cn1c(C(O)c2ccccc2)nc(Cl)c1Cl.
What is the InChIKey of (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol?
The InChIKey is NNNUPIDHCSWPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-15-10(13)9(12)14-11(15)8(16)7-5-3-2-4-6-7/h2-6,8,16H,1H3.
What are the key properties of (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol?
(4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol has a molecular weight of 257.12 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylimidazol-2-yl)-phenylmethanol is sourced from PubChem (CID 2859054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).