[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone

C18H22ClN5O — CID 77091830

About [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone

[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 77091830) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 77091830
• Molecular Formula: C18H22ClN5O
• Molecular Weight: 359.86 g/mol
• Exact Mass: 359.15
• IUPAC Name: [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone
• SMILES: CN1CCN(C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)CC1
• InChI: InChI=1S/C18H22ClN5O/c1-22-8-10-23(11-9-22)18(25)24-7-6-15-16(12-24)21-17(20-15)13-2-4-14(19)5-3-13/h2-5H,6-12H2,1H3,(H,20,21)
• InChIKey: VDRQOIKETCZQEG-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 55.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.86
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone (CID 77091830) is [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCc3nc(-c4ccc(Cl)cc4)[nH]c3C2)CC1.

What is the InChIKey of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is VDRQOIKETCZQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c1-22-8-10-23(11-9-22)18(25)24-7-6-15-16(12-24)21-17(20-15)13-2-4-14(19)5-3-13/h2-5H,6-12H2,1H3,(H,20,21).

What are the key properties of [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone?

[2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 359.86 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(4-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 77091830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).