1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

C18H20ClN5 — CID 126720445

IUPAC1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCc1nc2c(N3CCNCC3)nccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN5/c1-13-22-17-16(24(13)12-14-3-2-4-15(19)11-14)5-6-21-18(17)23-9-7-20-8-10-23/h2-6,11,20H,7-10,12H2,1H3
InChIKeyCOFZNGYLTCRDMA-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.85
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 126720445) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID126720445
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESCc1nc2c(N3CCNCC3)nccc2n1Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN5/c1-13-22-17-16(24(13)12-14-3-2-4-15(19)11-14)5-6-21-18(17)23-9-7-20-8-10-23/h2-6,11,20H,7-10,12H2,1H3
InChIKeyCOFZNGYLTCRDMA-UHFFFAOYSA-N
XLogP2.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Glu-P 1
CID 49971
1-(9-(4-chlorophenyl)-8-(2-chlorophenyl)-9H-purin-6-yl)-4-ethylaminopiperidine-4-carboxylic acid amide
CID 10052040
Arprinocid
CID 41574
Laduviglusib
CID 9956119
L-745870
CID 5311200
PF-4708671
CID 51371303
Cgp74514A
CID 2794188
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
Otenabant hydrochloride
CID 16223963
6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo(4,5-b)pyridine
CID 71454279
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 126720445) is 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is Cc1nc2c(N3CCNCC3)nccc2n1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is COFZNGYLTCRDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5/c1-13-22-17-16(24(13)12-14-3-2-4-15(19)11-14)5-6-21-18(17)23-9-7-20-8-10-23/h2-6,11,20H,7-10,12H2,1H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 341.85 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 126720445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).