2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol

C14H17BrN2O — CID 79744762

IUPAC2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(C)(O)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-3-17-9-8-16-13(17)10-14(2,18)11-6-4-5-7-12(11)15/h4-9,18H,3,10H2,1-2H3
InChIKeyISMOBQZMSORCIZ-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.12
Rot. Bonds4

About 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol

2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol (PubChem CID 79744762) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
PubChem CID79744762
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
SMILESCCn1ccnc1CC(C)(O)c1ccccc1Br
InChIInChI=1S/C14H17BrN2O/c1-3-17-9-8-16-13(17)10-14(2,18)11-6-4-5-7-12(11)15/h4-9,18H,3,10H2,1-2H3
InChIKeyISMOBQZMSORCIZ-UHFFFAOYSA-N
XLogP3.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-2-(2-methoxyphenyl)propan-2-ol
CID 79744124
2-(4-bromo-2-chlorophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 82779028
1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
CID 79744037
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819265
1-(2-tert-butylphenyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 105009550
1-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanol
CID 63975624
2-(3-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 79744166
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677
2-(2-bromophenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79740509
1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 114833123
2-(2-bromophenyl)-1-(ethylamino)propan-2-ol
CID 62773972

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol?
The IUPAC name of 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol (CID 79744762) is 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol is CCn1ccnc1CC(C)(O)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol?
The InChIKey is ISMOBQZMSORCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-17-9-8-16-13(17)10-14(2,18)11-6-4-5-7-12(11)15/h4-9,18H,3,10H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol?
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol has a molecular weight of 309.21 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79744762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).