[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

C20H21ClN4O — CID 42607158

IUPAC[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2
InChIKeyDPMWZOFTOGCSCJ-UHFFFAOYSA-N
MW368.87 g/mol
LogP2.99
Rot. Bonds4

About [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone

[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (PubChem CID 42607158) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.

Molecular Properties

Compound Name[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
PubChem CID42607158
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone
SMILESO=C(c1cccn2ccnc12)N1CCN(CCc2ccccc2Cl)CC1
InChIInChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2
InChIKeyDPMWZOFTOGCSCJ-UHFFFAOYSA-N
XLogP2.99
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The IUPAC name of [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone (CID 42607158) is [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone.
What is the SMILES notation for [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The canonical SMILES for [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is O=C(c1cccn2ccnc12)N1CCN(CCc2ccccc2Cl)CC1.
What is the InChIKey of [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
The InChIKey is DPMWZOFTOGCSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c21-18-6-2-1-4-16(18)7-10-23-12-14-25(15-13-23)20(26)17-5-3-9-24-11-8-22-19(17)24/h1-6,8-9,11H,7,10,12-15H2.
What are the key properties of [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone?
[4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone has a molecular weight of 368.87 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-chlorophenyl)ethyl]piperazin-1-yl]-imidazo[1,2-a]pyridin-8-ylmethanone is sourced from PubChem (CID 42607158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).