2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one

C17H17BrN4O — CID 59834572

IUPAC2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cc(C)n1
InChIInChI=1S/C17H17BrN4O/c1-10-7-13(8-11(2)20-10)17(12-5-4-6-14(18)9-12)15(23)22(3)16(19)21-17/h4-9H,1-3H3,(H2,19,21)
InChIKeyARCXTDNNCWVNDH-UHFFFAOYSA-N
MW373.25 g/mol
LogP2.49
Rot. Bonds2

About 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one

2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one (PubChem CID 59834572) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one
PubChem CID59834572
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one
SMILESCc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cc(C)n1
InChIInChI=1S/C17H17BrN4O/c1-10-7-13(8-11(2)20-10)17(12-5-4-6-14(18)9-12)15(23)22(3)16(19)21-17/h4-9H,1-3H3,(H2,19,21)
InChIKeyARCXTDNNCWVNDH-UHFFFAOYSA-N
XLogP2.49
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-bromophenyl)-N,1-dimethyl-N-(6-methyl-2-pyridinyl)pyrrole-2-carboxamide
CID 99637117
4-[2-Amino-4-(3-bromophenyl)-1-methyl-5-oxoimidazol-4-yl]-1-(2-fluoroethyl)pyrrole-2-carbonitrile
CID 15949462
2-Amino-5-[3-(2,5-difluorophenyl)phenyl]-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one
CID 15950663
2-Amino-4-(3-bromo-4-fluorophenyl)-1-methyl-4-(2-methylpyridin-4-yl)-1H-imidazol-5(4H)-one
CID 59763948
2-Amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-pyridin-4-yl)-3-methyl-3,5-dihydro-imidazol-4-one
CID 59834558
2-amino-4-(3-bromo-4-fluorophenyl)-4-(2,6-diethyl-4-pyridinyl)-1H-imidazol-5-one
CID 71218913
[4-[2-Amino-4-(3-bromo-4-fluorophenyl)-1-methyl-5-oxoimidazol-4-yl]-6-ethyl-2-pyridinyl]methanetricarbonitrile
CID 89383372
2-Amino-5-(3,5-difluorophenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one
CID 117753203
2-Amino-5-(4-fluoro-3-methylphenyl)-3-methyl-5-(2-methyl-4-pyridinyl)imidazol-4-one
CID 143700897
2-Amino-5-(2,6-diethyl-4-pyridinyl)-5-(4-fluoro-3-methylphenyl)-3-methylimidazol-4-one
CID 148652569
2-amino-5-(3-bromo-4-fluorophenyl)-5-(2,6-diethyl-4-pyridinyl)-3-methyl-4H-imidazole-4-carbaldehyde
CID 174549812
(5R)-2-amino-5-(3-bromophenyl)-5-(2-chloro-4-pyridinyl)-3-methylimidazol-4-one
CID 129395094

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one (CID 59834572) is 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one is Cc1cc(C2(c3cccc(Br)c3)N=C(N)N(C)C2=O)cc(C)n1.
What is the InChIKey of 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one?
The InChIKey is ARCXTDNNCWVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-10-7-13(8-11(2)20-10)17(12-5-4-6-14(18)9-12)15(23)22(3)16(19)21-17/h4-9H,1-3H3,(H2,19,21).
What are the key properties of 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one?
2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one has a molecular weight of 373.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(3-bromophenyl)-5-(2,6-dimethyl-4-pyridinyl)-3-methylimidazol-4-one is sourced from PubChem (CID 59834572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).