6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

C19H16ClN3S — CID 15989671

IUPAC6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)s1
InChIInChI=1S/C19H16ClN3S/c1-12-5-3-4-6-15(12)21-19-18(16-9-7-13(2)24-16)22-17-10-8-14(20)11-23(17)19/h3-11,21H,1-2H3
InChIKeyKMDWXDQUHJXZIR-UHFFFAOYSA-N
MW353.88 g/mol
LogP6.08
Rot. Bonds3

About 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine

6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 15989671) has the molecular formula C19H16ClN3S and a molecular weight of 353.88 g/mol. Its IUPAC name is 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID15989671
Molecular FormulaC19H16ClN3S
Molecular Weight353.88 g/mol
Exact Mass353.08
IUPAC Name6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)s1
InChIInChI=1S/C19H16ClN3S/c1-12-5-3-4-6-15(12)21-19-18(16-9-7-13(2)24-16)22-17-10-8-14(20)11-23(17)19/h3-11,21H,1-2H3
InChIKeyKMDWXDQUHJXZIR-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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Related Compounds

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CID 20823975
CID 20823982
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CID 20824060
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CID 2813457
CID 2813457
CID 25093433
CID 25093433
CID 25093434
CID 25093434
CID 25093443
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CID 25093448
CID 25093448

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine (CID 15989671) is 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine is Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)s1.
What is the InChIKey of 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is KMDWXDQUHJXZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3S/c1-12-5-3-4-6-15(12)21-19-18(16-9-7-13(2)24-16)22-17-10-8-14(20)11-23(17)19/h3-11,21H,1-2H3.
What are the key properties of 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine?
6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)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 6-chloro-N-(2-methylphenyl)-2-(5-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 15989671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).