N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide

C20H14Cl2N4O — CID 24944594

IUPACN-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1c(-c2ccc(Cl)nc2)nc2ccc(Cl)cn12)c1ccccc1
InChIInChI=1S/C20H14Cl2N4O/c21-15-7-9-18-25-19(14-6-8-17(22)23-10-14)16(26(18)12-15)11-24-20(27)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,24,27)
InChIKeyLFEGVKLTGBQWEV-UHFFFAOYSA-N
MW397.27 g/mol
LogP4.63
Rot. Bonds4

About N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide

N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide (PubChem CID 24944594) has the molecular formula C20H14Cl2N4O and a molecular weight of 397.27 g/mol. Its IUPAC name is N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide
PubChem CID24944594
Molecular FormulaC20H14Cl2N4O
Molecular Weight397.27 g/mol
Exact Mass396.05
IUPAC NameN-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1c(-c2ccc(Cl)nc2)nc2ccc(Cl)cn12)c1ccccc1
InChIInChI=1S/C20H14Cl2N4O/c21-15-7-9-18-25-19(14-6-8-17(22)23-10-14)16(26(18)12-15)11-24-20(27)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,24,27)
InChIKeyLFEGVKLTGBQWEV-UHFFFAOYSA-N
XLogP4.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide (CID 24944594) is N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide is O=C(NCc1c(-c2ccc(Cl)nc2)nc2ccc(Cl)cn12)c1ccccc1.
What is the InChIKey of N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is LFEGVKLTGBQWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O/c21-15-7-9-18-25-19(14-6-8-17(22)23-10-14)16(26(18)12-15)11-24-20(27)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,24,27).
What are the key properties of N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide?
N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 397.27 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-chloro-2-(6-chloro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 24944594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).