1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol

C19H19BrN2O — CID 66771516

IUPAC1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol
SMILESCc1c(Br)cccc1C(C)(O)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H19BrN2O/c1-14-16(9-6-10-17(14)20)19(2,23)18-21-11-12-22(18)13-15-7-4-3-5-8-15/h3-12,23H,13H2,1-2H3
InChIKeyJIQHXYKUJMVMKG-UHFFFAOYSA-N
MW371.28 g/mol
LogP4.26
Rot. Bonds4

About 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol

1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol (PubChem CID 66771516) has the molecular formula C19H19BrN2O and a molecular weight of 371.28 g/mol. Its IUPAC name is 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol
PubChem CID66771516
Molecular FormulaC19H19BrN2O
Molecular Weight371.28 g/mol
Exact Mass370.07
IUPAC Name1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol
SMILESCc1c(Br)cccc1C(C)(O)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H19BrN2O/c1-14-16(9-6-10-17(14)20)19(2,23)18-21-11-12-22(18)13-15-7-4-3-5-8-15/h3-12,23H,13H2,1-2H3
InChIKeyJIQHXYKUJMVMKG-UHFFFAOYSA-N
XLogP4.26
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanol
CID 63975624
1-benzyl-2-methylimidazole
CID 158634472
3-[(2-tert-butylimidazol-1-yl)methyl]phenol
CID 82560371
1-(1-methylimidazol-2-yl)-1-(2-methylphenyl)ethanol
CID 63975146
(1-benzylimidazol-2-yl)-(2,4-dichlorophenyl)-phenylmethanol
CID 171986173
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 79744762
3-[(2-tert-butylimidazol-1-yl)methyl]benzonitrile
CID 82561567
1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
CID 101370154
1-benzyl-2-chloroimidazole
CID 11629752
1-benzyl-2-bromo-3-methylpyrrole
CID 139840264
3-[[2-(trichloromethyl)imidazol-1-yl]methyl]benzonitrile
CID 82561634
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
CID 135256386

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol?
The IUPAC name of 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol (CID 66771516) is 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol?
The canonical SMILES for 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol is Cc1c(Br)cccc1C(C)(O)c1nccn1Cc1ccccc1.
What is the InChIKey of 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol?
The InChIKey is JIQHXYKUJMVMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O/c1-14-16(9-6-10-17(14)20)19(2,23)18-21-11-12-22(18)13-15-7-4-3-5-8-15/h3-12,23H,13H2,1-2H3.
What are the key properties of 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol?
1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol has a molecular weight of 371.28 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylimidazol-2-yl)-1-(3-bromo-2-methylphenyl)ethanol is sourced from PubChem (CID 66771516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).