1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine

C23H16ClN3O2 — CID 3599517

IUPAC1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESCc1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn34)o2)cc1Cl
InChIInChI=1S/C23H16ClN3O2/c1-15-7-8-16(13-18(15)24)19-10-9-17(29-19)14-25-23-22(20-5-4-12-28-20)26-21-6-2-3-11-27(21)23/h2-14H,1H3
InChIKeyUPKBROQSUPPQBU-UHFFFAOYSA-N
MW401.85 g/mol
LogP6.57
Rot. Bonds4

About 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine

1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine (PubChem CID 3599517) has the molecular formula C23H16ClN3O2 and a molecular weight of 401.85 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine.

Molecular Properties

Compound Name1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine
PubChem CID3599517
Molecular FormulaC23H16ClN3O2
Molecular Weight401.85 g/mol
Exact Mass401.09
IUPAC Name1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESCc1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn34)o2)cc1Cl
InChIInChI=1S/C23H16ClN3O2/c1-15-7-8-16(13-18(15)24)19-10-9-17(29-19)14-25-23-22(20-5-4-12-28-20)26-21-6-2-3-11-27(21)23/h2-14H,1H3
InChIKeyUPKBROQSUPPQBU-UHFFFAOYSA-N
XLogP6.57
TPSA55.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.85
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The IUPAC name of 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine (CID 3599517) is 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine.
What is the SMILES notation for 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The canonical SMILES for 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine is Cc1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn34)o2)cc1Cl.
What is the InChIKey of 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The InChIKey is UPKBROQSUPPQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O2/c1-15-7-8-16(13-18(15)24)19-10-9-17(29-19)14-25-23-22(20-5-4-12-28-20)26-21-6-2-3-11-27(21)23/h2-14H,1H3.
What are the key properties of 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine?
1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine has a molecular weight of 401.85 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-methylphenyl)furan-2-yl]-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanimine is sourced from PubChem (CID 3599517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).