N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine

C26H18Cl2N4O3 — CID 555953

IUPACN-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine
SMILESCc1cc(-c2ccc(C=Nc3c(-c4ccc(Cl)cc4Cl)nc4ccccn34)o2)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C26H18Cl2N4O3/c1-15-11-20(16(2)22(12-15)32(33)34)23-9-7-18(35-23)14-29-26-25(19-8-6-17(27)13-21(19)28)30-24-5-3-4-10-31(24)26/h3-14H,1-2H3
InChIKeyZGCIOJTYNSNKTA-UHFFFAOYSA-N
MW505.36 g/mol
LogP7.84
Rot. Bonds5

About N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine

N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine (PubChem CID 555953) has the molecular formula C26H18Cl2N4O3 and a molecular weight of 505.36 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine
PubChem CID555953
Molecular FormulaC26H18Cl2N4O3
Molecular Weight505.36 g/mol
Exact Mass504.08
IUPAC NameN-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine
SMILESCc1cc(-c2ccc(C=Nc3c(-c4ccc(Cl)cc4Cl)nc4ccccn34)o2)c(C)c([N+](=O)[O-])c1
InChIInChI=1S/C26H18Cl2N4O3/c1-15-11-20(16(2)22(12-15)32(33)34)23-9-7-18(35-23)14-29-26-25(19-8-6-17(27)13-21(19)28)30-24-5-3-4-10-31(24)26/h3-14H,1-2H3
InChIKeyZGCIOJTYNSNKTA-UHFFFAOYSA-N
XLogP7.84
TPSA85.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.36
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 3657999
2-[[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]phenol
CID 1237435
1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 3599517
1-(2,4-dichlorophenyl)-N-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
CID 1124710
2-(2,4-dichlorophenyl)-3-methylimidazo[1,2-a]pyridine;ethane
CID 155716211
2-bromo-6-[(E)-[6-chloro-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]iminomethyl]-4-nitrophenol
CID 171979601
(E)-1-[5-(4-methyl-2-nitrophenyl)furan-2-yl]-N-[(E)-[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylideneamino]methanimine
CID 50884135
(NZ)-N-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]hydroxylamine
CID 28875195
5-N-[[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylideneamino]-6-N-(4-fluorophenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 3101473
N-(3,4-dichlorophenyl)-1-[5-(2,5-dimethyl-4-nitrophenyl)furan-2-yl]methanimine
CID 5137705
N-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 3816843
3-(1-chloroethyl)-2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridine
CID 82029766

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine (CID 555953) is N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine is Cc1cc(-c2ccc(C=Nc3c(-c4ccc(Cl)cc4Cl)nc4ccccn34)o2)c(C)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine?
The InChIKey is ZGCIOJTYNSNKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N4O3/c1-15-11-20(16(2)22(12-15)32(33)34)23-9-7-18(35-23)14-29-26-25(19-8-6-17(27)13-21(19)28)30-24-5-3-4-10-31(24)26/h3-14H,1-2H3.
What are the key properties of N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine?
N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine has a molecular weight of 505.36 g/mol, XLogP of 7.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methanimine is sourced from PubChem (CID 555953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).