6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride

C21H25ClN8 — CID 129245570

About 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride

6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 129245570) has the molecular formula C21H25ClN8 and a molecular weight of 424.94 g/mol. Its IUPAC name is 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
• PubChem CID: 129245570
• Molecular Formula: C21H25ClN8
• Molecular Weight: 424.94 g/mol
• Exact Mass: 424.19
• IUPAC Name: 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride
• SMILES: Cl.Cn1ccc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)n1
• InChI: InChI=1S/C21H24N8.ClH/c1-28-9-5-17(27-28)16-2-3-18-19(13-16)25-21(24-18)26-20-12-15(4-6-23-20)14-29-10-7-22-8-11-29;/h2-6,9,12-13,22H,7-8,10-11,14H2,1H3,(H2,23,24,25,26);1H
• InChIKey: MWAMUIGXBLKGNS-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 86.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.94
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride?

The IUPAC name of 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride (CID 129245570) is 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride.

What is the SMILES notation for 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride?

The canonical SMILES for 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride is Cl.Cn1ccc(-c2ccc3nc(Nc4cc(CN5CCNCC5)ccn4)[nH]c3c2)n1.

What is the InChIKey of 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride?

The InChIKey is MWAMUIGXBLKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8.ClH/c1-28-9-5-17(27-28)16-2-3-18-19(13-16)25-21(24-18)26-20-12-15(4-6-23-20)14-29-10-7-22-8-11-29;/h2-6,9,12-13,22H,7-8,10-11,14H2,1H3,(H2,23,24,25,26);1H.

What are the key properties of 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride?

6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 424.94 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-methylpyrazol-3-yl)-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 129245570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).