2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C19H16ClN3S — CID 15989712

IUPAC2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2c(C)cccn12
InChIInChI=1S/C19H16ClN3S/c1-12-6-3-4-8-14(12)21-19-17(15-9-10-16(20)24-15)22-18-13(2)7-5-11-23(18)19/h3-11,21H,1-2H3
InChIKeyDVZZCKPXKZDNNI-UHFFFAOYSA-N
MW353.88 g/mol
LogP6.08
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 15989712) has the molecular formula C19H16ClN3S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID15989712
Molecular FormulaC19H16ClN3S
Molecular Weight353.88 g/mol
Exact Mass353.08
IUPAC Name2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2c(C)cccn12
InChIInChI=1S/C19H16ClN3S/c1-12-6-3-4-8-14(12)21-19-17(15-9-10-16(20)24-15)22-18-13(2)7-5-11-23(18)19/h3-11,21H,1-2H3
InChIKeyDVZZCKPXKZDNNI-UHFFFAOYSA-N
XLogP6.08
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.88
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 15989712) is 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2c(C)cccn12.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is DVZZCKPXKZDNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3S/c1-12-6-3-4-8-14(12)21-19-17(15-9-10-16(20)24-15)22-18-13(2)7-5-11-23(18)19/h3-11,21H,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 353.88 g/mol, XLogP of 6.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-8-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 15989712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).