N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C21H18ClN3 — CID 59402651

IUPACN-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3ccccn3c2NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClN3/c1-15-8-10-17(11-9-15)20-21(25-12-3-2-7-19(25)24-20)23-14-16-5-4-6-18(22)13-16/h2-13,23H,14H2,1H3
InChIKeyOYJFSUDMMAHUBF-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.58
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine

N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 59402651) has the molecular formula C21H18ClN3 and a molecular weight of 347.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID59402651
Molecular FormulaC21H18ClN3
Molecular Weight347.85 g/mol
Exact Mass347.12
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3ccccn3c2NCc2cccc(Cl)c2)cc1
InChIInChI=1S/C21H18ClN3/c1-15-8-10-17(11-9-15)20-21(25-12-3-2-7-19(25)24-20)23-14-16-5-4-6-18(22)13-16/h2-13,23H,14H2,1H3
InChIKeyOYJFSUDMMAHUBF-UHFFFAOYSA-N
XLogP5.58
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 59402651) is N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nc3ccccn3c2NCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is OYJFSUDMMAHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3/c1-15-8-10-17(11-9-15)20-21(25-12-3-2-7-19(25)24-20)23-14-16-5-4-6-18(22)13-16/h2-13,23H,14H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 347.85 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 59402651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).