7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine

C18H15ClN4 — CID 70072239

IUPAC7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3cc(Cl)ccn3c2Cc2ncc[nH]2)cc1
InChIInChI=1S/C18H15ClN4/c1-12-2-4-13(5-3-12)18-15(11-16-20-7-8-21-16)23-9-6-14(19)10-17(23)22-18/h2-10H,11H2,1H3,(H,20,21)
InChIKeyPLIUVUXSPADRSN-UHFFFAOYSA-N
MW322.80 g/mol
LogP4.28
Rot. Bonds3

About 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine

7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine (PubChem CID 70072239) has the molecular formula C18H15ClN4 and a molecular weight of 322.80 g/mol. Its IUPAC name is 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
PubChem CID70072239
Molecular FormulaC18H15ClN4
Molecular Weight322.80 g/mol
Exact Mass322.10
IUPAC Name7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
SMILESCc1ccc(-c2nc3cc(Cl)ccn3c2Cc2ncc[nH]2)cc1
InChIInChI=1S/C18H15ClN4/c1-12-2-4-13(5-3-12)18-15(11-16-20-7-8-21-16)23-9-6-14(19)10-17(23)22-18/h2-10H,11H2,1H3,(H,20,21)
InChIKeyPLIUVUXSPADRSN-UHFFFAOYSA-N
XLogP4.28
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine (CID 70072239) is 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine is Cc1ccc(-c2nc3cc(Cl)ccn3c2Cc2ncc[nH]2)cc1.
What is the InChIKey of 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is PLIUVUXSPADRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4/c1-12-2-4-13(5-3-12)18-15(11-16-20-7-8-21-16)23-9-6-14(19)10-17(23)22-18/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine?
7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 322.80 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(1H-imidazol-2-ylmethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 70072239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).