(E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine

C21H16N4O — CID 135603938

IUPAC(E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine
SMILESCc1[nH]c2ccccc2c1/C=N/c1c(-c2ccco2)nc2ccccn12
InChIInChI=1S/C21H16N4O/c1-14-16(15-7-2-3-8-17(15)23-14)13-22-21-20(18-9-6-12-26-18)24-19-10-4-5-11-25(19)21/h2-13,23H,1H3/b22-13+
InChIKeyIAIWXNOHNVCMTK-LPYMAVHISA-N
MW340.39 g/mol
LogP5.13
Rot. Bonds3

About (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine

(E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine (PubChem CID 135603938) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine
PubChem CID135603938
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name(E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine
SMILESCc1[nH]c2ccccc2c1/C=N/c1c(-c2ccco2)nc2ccccn12
InChIInChI=1S/C21H16N4O/c1-14-16(15-7-2-3-8-17(15)23-14)13-22-21-20(18-9-6-12-26-18)24-19-10-4-5-11-25(19)21/h2-13,23H,1H3/b22-13+
InChIKeyIAIWXNOHNVCMTK-LPYMAVHISA-N
XLogP5.13
TPSA58.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.39
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine?
The IUPAC name of (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine (CID 135603938) is (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine.
What is the SMILES notation for (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine?
The canonical SMILES for (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine is Cc1[nH]c2ccccc2c1/C=N/c1c(-c2ccco2)nc2ccccn12.
What is the InChIKey of (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine?
The InChIKey is IAIWXNOHNVCMTK-LPYMAVHISA-N. The full InChI is InChI=1S/C21H16N4O/c1-14-16(15-7-2-3-8-17(15)23-14)13-22-21-20(18-9-6-12-26-18)24-19-10-4-5-11-25(19)21/h2-13,23H,1H3/b22-13+.
What are the key properties of (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine?
(E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine has a molecular weight of 340.39 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]-1-(2-methyl-1H-indol-3-yl)methanimine is sourced from PubChem (CID 135603938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).