6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

C25H30N8 — CID 129245819

About 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine

6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 129245819) has the molecular formula C25H30N8 and a molecular weight of 442.57 g/mol. Its IUPAC name is 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
• PubChem CID: 129245819
• Molecular Formula: C25H30N8
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.26
• IUPAC Name: 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
• SMILES: c1cc(CN2CCNCC2)cc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)cc3[nH]2)n1
• InChI: InChI=1S/C25H30N8/c1-2-18(3-1)16-33-17-21(14-28-33)20-4-5-22-23(13-20)30-25(29-22)31-24-12-19(6-7-27-24)15-32-10-8-26-9-11-32/h4-7,12-14,17-18,26H,1-3,8-11,15-16H2,(H2,27,29,30,31)
• InChIKey: JJJDDMVVXOAMGG-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 86.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (CID 129245819) is 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

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

The canonical SMILES for 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is c1cc(CN2CCNCC2)cc(Nc2nc3ccc(-c4cnn(CC5CCC5)c4)cc3[nH]2)n1.

What is the InChIKey of 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine?

The InChIKey is JJJDDMVVXOAMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N8/c1-2-18(3-1)16-33-17-21(14-28-33)20-4-5-22-23(13-20)30-25(29-22)31-24-12-19(6-7-27-24)15-32-10-8-26-9-11-32/h4-7,12-14,17-18,26H,1-3,8-11,15-16H2,(H2,27,29,30,31).

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

6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 442.57 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(cyclobutylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 129245819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).