2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium

C21H18ClN2O+ — CID 911460

IUPAC2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium
SMILESCOc1ccc(Cn2c(-c3ccc(Cl)cc3)c[n+]3ccccc23)cc1
InChIInChI=1S/C21H18ClN2O/c1-25-19-11-5-16(6-12-19)14-24-20(17-7-9-18(22)10-8-17)15-23-13-3-2-4-21(23)24/h2-13,15H,14H2,1H3/q+1
InChIKeyIVCMVLQWGVGYGX-UHFFFAOYSA-N
MW349.84 g/mol
LogP4.60
Rot. Bonds4

About 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium

2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium (PubChem CID 911460) has the molecular formula C21H18ClN2O+ and a molecular weight of 349.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium
PubChem CID911460
Molecular FormulaC21H18ClN2O+
Molecular Weight349.84 g/mol
Exact Mass349.11
IUPAC Name2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium
SMILESCOc1ccc(Cn2c(-c3ccc(Cl)cc3)c[n+]3ccccc23)cc1
InChIInChI=1S/C21H18ClN2O/c1-25-19-11-5-16(6-12-19)14-24-20(17-7-9-18(22)10-8-17)15-23-13-3-2-4-21(23)24/h2-13,15H,14H2,1H3/q+1
InChIKeyIVCMVLQWGVGYGX-UHFFFAOYSA-N
XLogP4.60
TPSA18.26 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium?
The IUPAC name of 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium (CID 911460) is 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium.
What is the SMILES notation for 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium?
The canonical SMILES for 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium is COc1ccc(Cn2c(-c3ccc(Cl)cc3)c[n+]3ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium?
The InChIKey is IVCMVLQWGVGYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN2O/c1-25-19-11-5-16(6-12-19)14-24-20(17-7-9-18(22)10-8-17)15-23-13-3-2-4-21(23)24/h2-13,15H,14H2,1H3/q+1.
What are the key properties of 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium?
2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium has a molecular weight of 349.84 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-4-ium is sourced from PubChem (CID 911460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).