1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone

C20H22ClN4O2+ — CID 58644935

IUPAC1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone
SMILESCOc1cc(N2CCN(C(=O)C[n+]3ccn4ccccc43)CC2)ccc1Cl
InChIInChI=1S/C20H22ClN4O2/c1-27-18-14-16(5-6-17(18)21)22-8-11-24(12-9-22)20(26)15-25-13-10-23-7-3-2-4-19(23)25/h2-7,10,13-14H,8-9,11-12,15H2,1H3/q+1
InChIKeyZRYZQNFORBNHBB-UHFFFAOYSA-N
MW385.88 g/mol
LogP2.24
Rot. Bonds4

About 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone

1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone (PubChem CID 58644935) has the molecular formula C20H22ClN4O2+ and a molecular weight of 385.88 g/mol. Its IUPAC name is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone.

Molecular Properties

Compound Name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone
PubChem CID58644935
Molecular FormulaC20H22ClN4O2+
Molecular Weight385.88 g/mol
Exact Mass385.14
IUPAC Name1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone
SMILESCOc1cc(N2CCN(C(=O)C[n+]3ccn4ccccc43)CC2)ccc1Cl
InChIInChI=1S/C20H22ClN4O2/c1-27-18-14-16(5-6-17(18)21)22-8-11-24(12-9-22)20(26)15-25-13-10-23-7-3-2-4-19(23)25/h2-7,10,13-14H,8-9,11-12,15H2,1H3/q+1
InChIKeyZRYZQNFORBNHBB-UHFFFAOYSA-N
XLogP2.24
TPSA41.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100
2-chloro-1-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]ethanone
CID 4740944
CID 58237741
CID 58237741
1-(4-chloro-3-methoxyphenyl)-4-methylpiperazine
CID 143061679
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
2-[4-chloro-3-(1-hydroxypyridin-1-ium-4-yl)-5-methylpyrazol-1-yl]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 135974478
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 58778060
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 113080152
4-(3,4-dichlorophenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3686318
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-(4-chloro-3-methyl-5-propan-2-ylpyrazol-1-yl)ethanone
CID 142843277
3-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-hydroxy-1,3-benzoxazol-2-one
CID 58834349

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone?
The IUPAC name of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone (CID 58644935) is 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone.
What is the SMILES notation for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone?
The canonical SMILES for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone is COc1cc(N2CCN(C(=O)C[n+]3ccn4ccccc43)CC2)ccc1Cl.
What is the InChIKey of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone?
The InChIKey is ZRYZQNFORBNHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN4O2/c1-27-18-14-16(5-6-17(18)21)22-8-11-24(12-9-22)20(26)15-25-13-10-23-7-3-2-4-19(23)25/h2-7,10,13-14H,8-9,11-12,15H2,1H3/q+1.
What are the key properties of 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone?
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone has a molecular weight of 385.88 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-imidazo[1,2-a]pyridin-1-ium-1-ylethanone is sourced from PubChem (CID 58644935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).