8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine

C21H20ClN3OS — CID 46948346

IUPAC8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)Cc1cccs1
InChIInChI=1S/C21H20ClN3OS/c1-15-21(24(2)13-18-5-4-12-27-18)25-11-3-6-19(20(25)23-15)26-14-16-7-9-17(22)10-8-16/h3-12H,13-14H2,1-2H3
InChIKeyXYEPNIZKJJZFMV-UHFFFAOYSA-N
MW397.93 g/mol
LogP5.57
Rot. Bonds6

About 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine

8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 46948346) has the molecular formula C21H20ClN3OS and a molecular weight of 397.93 g/mol. Its IUPAC name is 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID46948346
Molecular FormulaC21H20ClN3OS
Molecular Weight397.93 g/mol
Exact Mass397.10
IUPAC Name8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)Cc1cccs1
InChIInChI=1S/C21H20ClN3OS/c1-15-21(24(2)13-18-5-4-12-27-18)25-11-3-6-19(20(25)23-15)26-14-16-7-9-17(22)10-8-16/h3-12H,13-14H2,1-2H3
InChIKeyXYEPNIZKJJZFMV-UHFFFAOYSA-N
XLogP5.57
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.93
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine (CID 46948346) is 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine is Cc1nc2c(OCc3ccc(Cl)cc3)cccn2c1N(C)Cc1cccs1.
What is the InChIKey of 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is XYEPNIZKJJZFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3OS/c1-15-21(24(2)13-18-5-4-12-27-18)25-11-3-6-19(20(25)23-15)26-14-16-7-9-17(22)10-8-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine?
8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 397.93 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-chlorophenyl)methoxy]-N,2-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 46948346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).