3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine

C19H16ClN3S — CID 162403097

IUPAC3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine
SMILESCN(C)c1ccc2nc(-c3ccccc3)c(-c3ccc(Cl)s3)n2c1
InChIInChI=1S/C19H16ClN3S/c1-22(2)14-8-11-17-21-18(13-6-4-3-5-7-13)19(23(17)12-14)15-9-10-16(20)24-15/h3-12H,1-2H3
InChIKeyBUKWVJVPCJRSMS-UHFFFAOYSA-N
MW353.88 g/mol
LogP5.45
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine

3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine (PubChem CID 162403097) has the molecular formula C19H16ClN3S and a molecular weight of 353.88 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine
PubChem CID162403097
Molecular FormulaC19H16ClN3S
Molecular Weight353.88 g/mol
Exact Mass353.08
IUPAC Name3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine
SMILESCN(C)c1ccc2nc(-c3ccccc3)c(-c3ccc(Cl)s3)n2c1
InChIInChI=1S/C19H16ClN3S/c1-22(2)14-8-11-17-21-18(13-6-4-3-5-7-13)19(23(17)12-14)15-9-10-16(20)24-15/h3-12H,1-2H3
InChIKeyBUKWVJVPCJRSMS-UHFFFAOYSA-N
XLogP5.45
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.88
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylthiophen-2-yl)-2-phenylimidazo[1,2-a]pyridine
CID 132501674
2-(4-chlorothiophen-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
CID 79428118
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline
CID 148796411
6-N,6-N-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,6-diamine
CID 63617792
2-(3-methoxyphenyl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
CID 63618310
2-benzyl-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
CID 63617466
6-chloro-2-methyl-3-phenylimidazo[1,2-a]pyridine
CID 71742253
6-N,6-N-dimethyl-2-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3,6-diamine
CID 55248780
N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
CID 167376610
6-N,6-N-dimethyl-2-(1-phenylethyl)imidazo[1,2-a]pyridine-3,6-diamine
CID 63618653
5-(2,3-diphenylimidazo[1,2-a]pyridin-6-yl)-10-phenylphenazine
CID 159803089
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine (CID 162403097) is 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine is CN(C)c1ccc2nc(-c3ccccc3)c(-c3ccc(Cl)s3)n2c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine?
The InChIKey is BUKWVJVPCJRSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3S/c1-22(2)14-8-11-17-21-18(13-6-4-3-5-7-13)19(23(17)12-14)15-9-10-16(20)24-15/h3-12H,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine?
3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine has a molecular weight of 353.88 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N,N-dimethyl-2-phenylimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 162403097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).