(E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine

C20H13Br2N3 — CID 54753008

IUPAC(E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESBrc1cccc(/C=N/c2c(-c3cccc(Br)c3)nc3ccccn23)c1
InChIInChI=1S/C20H13Br2N3/c21-16-7-3-5-14(11-16)13-23-20-19(15-6-4-8-17(22)12-15)24-18-9-1-2-10-25(18)20/h1-13H/b23-13+
InChIKeyCEOFTXYMITXYFM-YDZHTSKRSA-N
MW455.15 g/mol
LogP6.28
Rot. Bonds3

About (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine

(E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine (PubChem CID 54753008) has the molecular formula C20H13Br2N3 and a molecular weight of 455.15 g/mol. Its IUPAC name is (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
PubChem CID54753008
Molecular FormulaC20H13Br2N3
Molecular Weight455.15 g/mol
Exact Mass452.95
IUPAC Name(E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESBrc1cccc(/C=N/c2c(-c3cccc(Br)c3)nc3ccccn23)c1
InChIInChI=1S/C20H13Br2N3/c21-16-7-3-5-14(11-16)13-23-20-19(15-6-4-8-17(22)12-15)24-18-9-1-2-10-25(18)20/h1-13H/b23-13+
InChIKeyCEOFTXYMITXYFM-YDZHTSKRSA-N
XLogP6.28
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.15
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromophenyl)-3-[(E)-(3-bromophenyl)methylideneamino]-5H-imidazo[1,2-b]pyrazole-7-carbonitrile
CID 177418908
1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 1124710
8-(3-bromophenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;ethane
CID 145073871
4-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-5-fluoropyrimidin-2-amine
CID 91664423
3-(3-bromophenyl)-2-(2-methoxyphenyl)imidazo[1,2-a]pyridine
CID 71699468
1-(6-nitro-1,3-benzodioxol-5-yl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 3867858
2-[[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
CID 1040296
2,4-dibromo-6-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
CID 2244514
4-chloro-2-[(E)-[2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
CID 135472463
2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
CID 1237435
8-[2-methoxy-4-[[2-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenoxy]-1,3,7-trimethylpurine-2,6-dione
CID 159043728
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-nitrosoimidazo[1,2-a]pyridine
CID 82356265

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The IUPAC name of (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine (CID 54753008) is (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine.
What is the SMILES notation for (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The canonical SMILES for (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine is Brc1cccc(/C=N/c2c(-c3cccc(Br)c3)nc3ccccn23)c1.
What is the InChIKey of (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The InChIKey is CEOFTXYMITXYFM-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H13Br2N3/c21-16-7-3-5-14(11-16)13-23-20-19(15-6-4-8-17(22)12-15)24-18-9-1-2-10-25(18)20/h1-13H/b23-13+.
What are the key properties of (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
(E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine has a molecular weight of 455.15 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-bromophenyl)-N-[2-(3-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine is sourced from PubChem (CID 54753008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).