2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol

C14H16BrClN2O — CID 82779028

IUPAC2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrClN2O/c1-3-18-7-6-17-13(18)9-14(2,19)11-5-4-10(15)8-12(11)16/h4-8,19H,3,9H2,1-2H3
InChIKeyRMTMYNQPICZIHH-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.77
Rot. Bonds4

About 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol

2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol (PubChem CID 82779028) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
PubChem CID82779028
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(C)(O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H16BrClN2O/c1-3-18-7-6-17-13(18)9-14(2,19)11-5-4-10(15)8-12(11)16/h4-8,19H,3,9H2,1-2H3
InChIKeyRMTMYNQPICZIHH-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-chlorophenyl)-1-(1-propylimidazol-2-yl)propan-2-amine
CID 82779747
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 79744762
1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)propan-2-ol
CID 79744124
1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
CID 79744037
2-(4-bromo-2-chlorophenyl)-1-(2,6-dichlorophenyl)propan-2-ol
CID 82779284
2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 79744166
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
1-[[2-(4-bromo-2-chlorophenyl)-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 138016345
1-[(4-bromo-2-chlorophenyl)methyl]-2-ethylimidazole
CID 115769752
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol (CID 82779028) is 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol is CCn1ccnc1CC(C)(O)c1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol?
The InChIKey is RMTMYNQPICZIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-3-18-7-6-17-13(18)9-14(2,19)11-5-4-10(15)8-12(11)16/h4-8,19H,3,9H2,1-2H3.
What are the key properties of 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol?
2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol has a molecular weight of 343.65 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 82779028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).