(4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol

C11H9BrCl2N2O — CID 3123550

IUPAC(4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(C(O)c2ccc(Br)cc2)nc(Cl)c1Cl
InChIInChI=1S/C11H9BrCl2N2O/c1-16-10(14)9(13)15-11(16)8(17)6-2-4-7(12)5-3-6/h2-5,8,17H,1H3
InChIKeySAEPDPUHRYBYGF-UHFFFAOYSA-N
MW336.02 g/mol
LogP3.57
Rot. Bonds2

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

(4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol (PubChem CID 3123550) has the molecular formula C11H9BrCl2N2O and a molecular weight of 336.02 g/mol. Its IUPAC name is (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol
PubChem CID3123550
Molecular FormulaC11H9BrCl2N2O
Molecular Weight336.02 g/mol
Exact Mass333.93
IUPAC Name(4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol
SMILESCn1c(C(O)c2ccc(Br)cc2)nc(Cl)c1Cl
InChIInChI=1S/C11H9BrCl2N2O/c1-16-10(14)9(13)15-11(16)8(17)6-2-4-7(12)5-3-6/h2-5,8,17H,1H3
InChIKeySAEPDPUHRYBYGF-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.02
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol?
The IUPAC name of (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol (CID 3123550) is (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol?
The canonical SMILES for (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol is Cn1c(C(O)c2ccc(Br)cc2)nc(Cl)c1Cl.
What is the InChIKey of (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol?
The InChIKey is SAEPDPUHRYBYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2O/c1-16-10(14)9(13)15-11(16)8(17)6-2-4-7(12)5-3-6/h2-5,8,17H,1H3.
What are the key properties of (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol?
(4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol has a molecular weight of 336.02 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4,5-dichloro-1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 3123550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).