3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine

C16H17ClN2 — CID 71188348

IUPAC3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine
SMILESCC1=CC=C(c2nc3cc(C)ccn3c2Cl)C(C)C1
InChIInChI=1S/C16H17ClN2/c1-10-4-5-13(12(3)8-10)15-16(17)19-7-6-11(2)9-14(19)18-15/h4-7,9,12H,8H2,1-3H3
InChIKeyHFNAPOXFZOJFCE-UHFFFAOYSA-N
MW272.78 g/mol
LogP4.67
Rot. Bonds1

About 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine

3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine (PubChem CID 71188348) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine
PubChem CID71188348
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine
SMILESCC1=CC=C(c2nc3cc(C)ccn3c2Cl)C(C)C1
InChIInChI=1S/C16H17ClN2/c1-10-4-5-13(12(3)8-10)15-16(17)19-7-6-11(2)9-14(19)18-15/h4-7,9,12H,8H2,1-3H3
InChIKeyHFNAPOXFZOJFCE-UHFFFAOYSA-N
XLogP4.67
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine (CID 71188348) is 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine is CC1=CC=C(c2nc3cc(C)ccn3c2Cl)C(C)C1.
What is the InChIKey of 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine?
The InChIKey is HFNAPOXFZOJFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c1-10-4-5-13(12(3)8-10)15-16(17)19-7-6-11(2)9-14(19)18-15/h4-7,9,12H,8H2,1-3H3.
What are the key properties of 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine?
3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine has a molecular weight of 272.78 g/mol, XLogP of 4.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 71188348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).