(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate

C22H14BrN2O2- — CID 7023691

IUPAC(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESO=C([O-])/C=C/c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C22H15BrN2O2/c23-18-10-12-20-24-22(19(25(20)14-18)11-13-21(26)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,26,27)/p-1/b13-11+
InChIKeyKPZOSRNRELRVLJ-ACCUITESSA-M
MW418.27 g/mol
LogP4.19
Rot. Bonds4

About (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate

(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate (PubChem CID 7023691) has the molecular formula C22H14BrN2O2- and a molecular weight of 418.27 g/mol. Its IUPAC name is (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate.

Molecular Properties

Compound Name(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
PubChem CID7023691
Molecular FormulaC22H14BrN2O2-
Molecular Weight418.27 g/mol
Exact Mass417.02
IUPAC Name(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
SMILESO=C([O-])/C=C/c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cn12
InChIInChI=1S/C22H15BrN2O2/c23-18-10-12-20-24-22(19(25(20)14-18)11-13-21(26)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,26,27)/p-1/b13-11+
InChIKeyKPZOSRNRELRVLJ-ACCUITESSA-M
XLogP4.19
TPSA57.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.27
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
3-[6-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2757080
(E)-3-[2-(4-bromophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7015432
6-bromo-2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 113303487
(Z)-3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908070
3-[6-bromo-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2756936
3-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)propanoic acid
CID 39195795
(E)-3-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoic acid
CID 39196018
(E)-3-[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023768
ethyl 2-(6-bromo-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 11792775
(E)-3-[2-(4-methoxyphenyl)-8-methylimidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023674
(E)-3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 10206708

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The IUPAC name of (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate (CID 7023691) is (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate.
What is the SMILES notation for (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The canonical SMILES for (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate is O=C([O-])/C=C/c1c(-c2ccc(-c3ccccc3)cc2)nc2ccc(Br)cn12.
What is the InChIKey of (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
The InChIKey is KPZOSRNRELRVLJ-ACCUITESSA-M. The full InChI is InChI=1S/C22H15BrN2O2/c23-18-10-12-20-24-22(19(25(20)14-18)11-13-21(26)27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H,(H,26,27)/p-1/b13-11+.
What are the key properties of (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate?
(E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate has a molecular weight of 418.27 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-bromo-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate is sourced from PubChem (CID 7023691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).