(4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone

C25H23ClN4O — CID 42876520

IUPAC(4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H23ClN4O/c26-22-9-6-20(7-10-22)21-8-11-24-27-23(18-30(24)17-21)25(31)29-14-12-28(13-15-29)16-19-4-2-1-3-5-19/h1-11,17-18H,12-16H2
InChIKeyNVHYOUUNWQDDSF-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.61
Rot. Bonds4

About (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone

(4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 42876520) has the molecular formula C25H23ClN4O and a molecular weight of 430.94 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID42876520
Molecular FormulaC25H23ClN4O
Molecular Weight430.94 g/mol
Exact Mass430.16
IUPAC Name(4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone
SMILESO=C(c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H23ClN4O/c26-22-9-6-20(7-10-22)21-8-11-24-27-23(18-30(24)17-21)25(31)29-14-12-28(13-15-29)16-19-4-2-1-3-5-19/h1-11,17-18H,12-16H2
InChIKeyNVHYOUUNWQDDSF-UHFFFAOYSA-N
XLogP4.61
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-benzylpiperazin-1-yl)-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methanone
CID 17252730
N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 16915047
ethyl 4-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperazine-1-carboxylate
CID 42536529
(4-benzylpiperazin-1-yl)-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]methanone
CID 1023261
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-pyridazin-4-ylmethanone
CID 121309759
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46957325
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
6-(4-chlorophenyl)-N-(cyclopropylmethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690096
[1-benzyl-3-(4-chlorophenyl)pyrazol-4-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 55493749
(4-benzylpiperazin-1-yl)-[2-[(4-chlorophenyl)methoxy]phenyl]methanone
CID 7964644
(4-benzylpiperazin-1-yl)-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 29356769

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone (CID 42876520) is (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone is O=C(c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is NVHYOUUNWQDDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O/c26-22-9-6-20(7-10-22)21-8-11-24-27-23(18-30(24)17-21)25(31)29-14-12-28(13-15-29)16-19-4-2-1-3-5-19/h1-11,17-18H,12-16H2.
What are the key properties of (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone?
(4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 430.94 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 42876520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).