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

C24H28N8 — CID 129245878

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

6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 129245878) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

• Compound Name: 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
• PubChem CID: 129245878
• Molecular Formula: C24H28N8
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.24
• IUPAC Name: 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine
• SMILES: c1cc(CN2CCNCC2)cc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)cc3[nH]2)n1
• InChI: InChI=1S/C24H28N8/c1-2-17(1)15-32-16-20(13-27-32)19-3-4-21-22(12-19)29-24(28-21)30-23-11-18(5-6-26-23)14-31-9-7-25-8-10-31/h3-6,11-13,16-17,25H,1-2,7-10,14-15H2,(H2,26,28,29,30)
• InChIKey: IWJRPBURSLUDBN-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 86.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine (CID 129245878) is 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine.

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

The canonical SMILES for 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is c1cc(CN2CCNCC2)cc(Nc2nc3ccc(-c4cnn(CC5CC5)c4)cc3[nH]2)n1.

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

The InChIKey is IWJRPBURSLUDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c1-2-17(1)15-32-16-20(13-27-32)19-3-4-21-22(12-19)29-24(28-21)30-23-11-18(5-6-26-23)14-31-9-7-25-8-10-31/h3-6,11-13,16-17,25H,1-2,7-10,14-15H2,(H2,26,28,29,30).

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

6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 428.54 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(cyclopropylmethyl)pyrazol-4-yl]-N-[4-(piperazin-1-ylmethyl)-2-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 129245878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).