8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

C28H24BrN3O2 — CID 71620256

IUPAC8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C2NCCN12
InChIInChI=1S/C28H24BrN3O2/c1-18-23(28(34)31-22-10-6-3-7-11-22)24(19-12-14-21(29)15-13-19)25(27-30-16-17-32(18)27)26(33)20-8-4-2-5-9-20/h2-15,24,30H,16-17H2,1H3,(H,31,34)
InChIKeyZDHGRMANBULQMX-UHFFFAOYSA-N
MW514.42 g/mol
LogP5.46
Rot. Bonds5

About 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide

8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 71620256) has the molecular formula C28H24BrN3O2 and a molecular weight of 514.42 g/mol. Its IUPAC name is 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID71620256
Molecular FormulaC28H24BrN3O2
Molecular Weight514.42 g/mol
Exact Mass513.11
IUPAC Name8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C2NCCN12
InChIInChI=1S/C28H24BrN3O2/c1-18-23(28(34)31-22-10-6-3-7-11-22)24(19-12-14-21(29)15-13-19)25(27-30-16-17-32(18)27)26(33)20-8-4-2-5-9-20/h2-15,24,30H,16-17H2,1H3,(H,31,34)
InChIKeyZDHGRMANBULQMX-UHFFFAOYSA-N
XLogP5.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.42
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dhp_keto_A(9)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-10-(4-fluorophenyl)-12-methyl-8-oxo-N-phenyl-1,13-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9(16),11-pentaene-11-carboxamide
CID 71619336
[6-(4-bromophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-phenylmethanone
CID 110528787
4-(4-chlorophenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 991929
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
(6S)-6-[4-[(4-bromobenzoyl)amino]phenyl]-8-methyl-N-phenyl-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxamide
CID 98166157
5-benzoyl-4-(4-bromophenyl)-2-fluoro-6-phenyl-4H-pyran-3-carboxylic acid
CID 141394219
[6-(4-bromophenyl)-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]-phenylmethanone
CID 3515563
2-anilino-3-benzoyl-4-(4-bromophenyl)-7,7-dimethyl-6,8-dihydro-4H-chromen-5-one
CID 50917521
(4S)-N-(4-bromophenyl)-6-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7290295
5-(4-bromophenyl)-7-methyl-3-oxo-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2938969
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
6-(4-fluorophenyl)-3,4-dimethyl-N-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide (CID 71620256) is 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc(Br)cc2)C(C(=O)c2ccccc2)=C2NCCN12.
What is the InChIKey of 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZDHGRMANBULQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrN3O2/c1-18-23(28(34)31-22-10-6-3-7-11-22)24(19-12-14-21(29)15-13-19)25(27-30-16-17-32(18)27)26(33)20-8-4-2-5-9-20/h2-15,24,30H,16-17H2,1H3,(H,31,34).
What are the key properties of 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide?
8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 514.42 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzoyl-7-(4-bromophenyl)-5-methyl-N-phenyl-1,2,3,7-tetrahydroimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 71620256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).