3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine

C18H24N6 — CID 136905548

About 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine

3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine (PubChem CID 136905548) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine.

Molecular Properties

• Compound Name: 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine
• PubChem CID: 136905548
• Molecular Formula: C18H24N6
• Molecular Weight: 324.43 g/mol
• Exact Mass: 324.21
• IUPAC Name: 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine
• SMILES: Cc1nc2ccccc2n1CCCNC[C@@H]1CNc2ccnn2C1
• InChI: InChI=1S/C18H24N6/c1-14-22-16-5-2-3-6-17(16)23(14)10-4-8-19-11-15-12-20-18-7-9-21-24(18)13-15/h2-3,5-7,9,15,19-20H,4,8,10-13H2,1H3/t15-/m1/s1
• InChIKey: VGOLAJUHIJCOMU-OAHLLOKOSA-N
• XLogP: 2.26
• TPSA: 59.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.43
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine?

The IUPAC name of 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine (CID 136905548) is 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine.

What is the SMILES notation for 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine?

The canonical SMILES for 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine is Cc1nc2ccccc2n1CCCNC[C@@H]1CNc2ccnn2C1.

What is the InChIKey of 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine?

The InChIKey is VGOLAJUHIJCOMU-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6/c1-14-22-16-5-2-3-6-17(16)23(14)10-4-8-19-11-15-12-20-18-7-9-21-24(18)13-15/h2-3,5-7,9,15,19-20H,4,8,10-13H2,1H3/t15-/m1/s1.

What are the key properties of 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine?

3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine has a molecular weight of 324.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-methylbenzimidazol-1-yl)-N-[[(6R)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]propan-1-amine is sourced from PubChem (CID 136905548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).