5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C19H18ClN5O — CID 131962420

About 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 131962420) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• PubChem CID: 131962420
• Molecular Formula: C19H18ClN5O
• Molecular Weight: 367.84 g/mol
• Exact Mass: 367.12
• IUPAC Name: 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
• SMILES: Cn1nccc1C1c2nc[nH]c2CCN1Cc1c(Cl)oc2ccccc12
• InChI: InChI=1S/C19H18ClN5O/c1-24-15(6-8-23-24)18-17-14(21-11-22-17)7-9-25(18)10-13-12-4-2-3-5-16(12)26-19(13)20/h2-6,8,11,18H,7,9-10H2,1H3,(H,21,22)
• InChIKey: OUBBMRVZYUPSRH-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 62.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.84
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The IUPAC name of 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 131962420) is 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

What is the SMILES notation for 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The canonical SMILES for 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is Cn1nccc1C1c2nc[nH]c2CCN1Cc1c(Cl)oc2ccccc12.

What is the InChIKey of 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

The InChIKey is OUBBMRVZYUPSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-24-15(6-8-23-24)18-17-14(21-11-22-17)7-9-25(18)10-13-12-4-2-3-5-16(12)26-19(13)20/h2-6,8,11,18H,7,9-10H2,1H3,(H,21,22).

What are the key properties of 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine?

5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 367.84 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-chloro-1-benzofuran-3-yl)methyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 131962420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).