N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine

C25H28N6 — CID 110265165

About N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine

N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine (PubChem CID 110265165) has the molecular formula C25H28N6 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine.

Molecular Properties

• Compound Name: N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine
• PubChem CID: 110265165
• Molecular Formula: C25H28N6
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.24
• IUPAC Name: N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine
• SMILES: CCn1c(CN2CCCC2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21
• InChI: InChI=1S/C25H28N6/c1-3-31-22-12-5-4-10-20(22)28-25(31)17-30-16-8-13-21(30)19-11-7-15-24(27-19)29-23-14-6-9-18(2)26-23/h4-7,9-12,14-15,21H,3,8,13,16-17H2,1-2H3,(H,26,27,29)
• InChIKey: NFUUEMUESCROIG-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine?

The IUPAC name of N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine (CID 110265165) is N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine.

What is the SMILES notation for N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine?

The canonical SMILES for N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine is CCn1c(CN2CCCC2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21.

What is the InChIKey of N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine?

The InChIKey is NFUUEMUESCROIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6/c1-3-31-22-12-5-4-10-20(22)28-25(31)17-30-16-8-13-21(30)19-11-7-15-24(27-19)29-23-14-6-9-18(2)26-23/h4-7,9-12,14-15,21H,3,8,13,16-17H2,1-2H3,(H,26,27,29).

What are the key properties of N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine?

N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine has a molecular weight of 412.54 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-[(1-ethylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]-6-methylpyridin-2-amine is sourced from PubChem (CID 110265165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).