6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine

C19H23ClN4O+2 — CID 7023756

IUPAC6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(Cl)cn3c2C[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C19H21ClN4O/c1-25-16-5-2-14(3-6-16)19-17(13-23-10-8-21-9-11-23)24-12-15(20)4-7-18(24)22-19/h2-7,12,21H,8-11,13H2,1H3/p+2
InChIKeyDTGSEJULFKIHLN-UHFFFAOYSA-P
MW358.87 g/mol
LogP0.63
Rot. Bonds4

About 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine

6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (PubChem CID 7023756) has the molecular formula C19H23ClN4O+2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
PubChem CID7023756
Molecular FormulaC19H23ClN4O+2
Molecular Weight358.87 g/mol
Exact Mass358.15
IUPAC Name6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2nc3ccc(Cl)cn3c2C[NH+]2CC[NH2+]CC2)cc1
InChIInChI=1S/C19H21ClN4O/c1-25-16-5-2-14(3-6-16)19-17(13-23-10-8-21-9-11-23)24-12-15(20)4-7-18(24)22-19/h2-7,12,21H,8-11,13H2,1H3/p+2
InChIKeyDTGSEJULFKIHLN-UHFFFAOYSA-P
XLogP0.63
TPSA47.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-nitrophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023754
6-methyl-2-(4-methylphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023752
2-(4-chlorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7015422
1-[[6-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidin-1-ium-4-carboxylate
CID 7016683
6-chloro-2-(4-methoxyphenyl)-3-[(4-methylphenyl)sulfonylmethyl]imidazo[1,2-a]pyridine
CID 132838378
2-(4-fluorophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7015438
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
2-(3-methoxyphenyl)-8-methyl-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023701
[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
6-chloro-3-(chloromethyl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 39133106
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]propanethioamide
CID 82030263
[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine (CID 7023756) is 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is COc1ccc(-c2nc3ccc(Cl)cn3c2C[NH+]2CC[NH2+]CC2)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is DTGSEJULFKIHLN-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H21ClN4O/c1-25-16-5-2-14(3-6-16)19-17(13-23-10-8-21-9-11-23)24-12-15(20)4-7-18(24)22-19/h2-7,12,21H,8-11,13H2,1H3/p+2.
What are the key properties of 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine?
6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 358.87 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 7023756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).