[3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol

C17H18BrN3O — CID 141178334

IUPAC[3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol
SMILESCN1CC(c2cccc(Br)c2)(c2cccc(CO)c2)N=C1N
InChIInChI=1S/C17H18BrN3O/c1-21-11-17(20-16(21)19,14-6-3-7-15(18)9-14)13-5-2-4-12(8-13)10-22/h2-9,22H,10-11H2,1H3,(H2,19,20)
InChIKeyWCKAIWBPQIDMBZ-UHFFFAOYSA-N
MW360.26 g/mol
LogP2.45
Rot. Bonds3

About [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol

[3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol (PubChem CID 141178334) has the molecular formula C17H18BrN3O and a molecular weight of 360.26 g/mol. Its IUPAC name is [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol
PubChem CID141178334
Molecular FormulaC17H18BrN3O
Molecular Weight360.26 g/mol
Exact Mass359.06
IUPAC Name[3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol
SMILESCN1CC(c2cccc(Br)c2)(c2cccc(CO)c2)N=C1N
InChIInChI=1S/C17H18BrN3O/c1-21-11-17(20-16(21)19,14-6-3-7-15(18)9-14)13-5-2-4-12(8-13)10-22/h2-9,22H,10-11H2,1H3,(H2,19,20)
InChIKeyWCKAIWBPQIDMBZ-UHFFFAOYSA-N
XLogP2.45
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[2-amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl]methanesulfonic acid
CID 90849888
5-[4-(difluoromethoxy)phenyl]-5-[3-(6-fluorohexyl)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141167360
5-[4-(difluoromethoxy)phenyl]-5-[3-(4-fluorobutyl)phenyl]-3-methyl-4H-imidazol-2-amine
CID 141167351
1-[3-[3-(2-amino-3-methyl-5-phenyl-4H-imidazol-5-yl)phenyl]phenyl]ethanone
CID 141178360
5-[3-(3-ethoxyphenyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141178336
5-[4-(difluoromethoxy)phenyl]-5-(3-hex-5-enylphenyl)-3-methyl-4H-imidazol-2-amine
CID 68735881
5-(3-bromophenyl)-3-(oxolan-2-ylmethyl)-5-phenyl-4H-imidazol-2-amine
CID 141178341
2-amino-5-[3-(aminomethyl)phenyl]-5-(3-bromophenyl)-3-methylimidazol-4-one;2,2,2-trifluoroacetic acid
CID 174572032
2-amino-6-(3-bromophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
CID 23731035
4-(3-bromophenyl)-1,4-dimethyl-6-methylidene-5H-pyrimidin-2-amine
CID 70325118
5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenyl-4H-imidazol-2-amine
CID 141215323
5-[3-(6-fluoro-3-pyridinyl)phenyl]-3-methyl-5-(4-trimethylsilylphenyl)-4H-imidazol-2-amine
CID 90874378

Frequently Asked Questions

What is the IUPAC name of [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol?
The IUPAC name of [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol (CID 141178334) is [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol?
The canonical SMILES for [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol is CN1CC(c2cccc(Br)c2)(c2cccc(CO)c2)N=C1N.
What is the InChIKey of [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol?
The InChIKey is WCKAIWBPQIDMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O/c1-21-11-17(20-16(21)19,14-6-3-7-15(18)9-14)13-5-2-4-12(8-13)10-22/h2-9,22H,10-11H2,1H3,(H2,19,20).
What are the key properties of [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol?
[3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol has a molecular weight of 360.26 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-amino-5-(3-bromophenyl)-3-methyl-4H-imidazol-5-yl]phenyl]methanol is sourced from PubChem (CID 141178334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).