2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol

C14H18BrN3O — CID 111421674

IUPAC2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C14H18BrN3O/c1-14(2,9-19)17-8-13-16-7-12(18-13)10-3-5-11(15)6-4-10/h3-7,17,19H,8-9H2,1-2H3,(H,16,18)
InChIKeyPZUJLFVZHCEIPL-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.70
Rot. Bonds5

About 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol

2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol (PubChem CID 111421674) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol
PubChem CID111421674
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(C)(CO)NCc1ncc(-c2ccc(Br)cc2)[nH]1
InChIInChI=1S/C14H18BrN3O/c1-14(2,9-19)17-8-13-16-7-12(18-13)10-3-5-11(15)6-4-10/h3-7,17,19H,8-9H2,1-2H3,(H,16,18)
InChIKeyPZUJLFVZHCEIPL-UHFFFAOYSA-N
XLogP2.70
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]propan-1-ol
CID 111118388
3-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]pentan-1-ol
CID 111449262
[5-(4-bromophenyl)-1H-imidazol-2-yl]methylurea
CID 143516652
methyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 116880250
tert-butyl N-[4-[5-(4-bromophenyl)-1H-imidazol-2-yl]butyl]carbamate
CID 91372126
4-[[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]methyl]pyrrolidin-3-ol;hydrochloride
CID 120962048
ethyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]acetate
CID 11953523
2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 67370873
N-[[5-(4-butan-2-ylphenyl)-1H-imidazol-2-yl]methyl]ethanamine
CID 116877297
tert-butyl N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-N-propylcarbamate
CID 123310590
N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 119129489
N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-ethyl-3,4-dihydro-1H-isoquinolin-5-amine;2,2,2-trifluoroacetic acid
CID 166202149

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol (CID 111421674) is 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol is CC(C)(CO)NCc1ncc(-c2ccc(Br)cc2)[nH]1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol?
The InChIKey is PZUJLFVZHCEIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-14(2,9-19)17-8-13-16-7-12(18-13)10-3-5-11(15)6-4-10/h3-7,17,19H,8-9H2,1-2H3,(H,16,18).
What are the key properties of 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol?
2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol has a molecular weight of 324.22 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 111421674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).