4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one

C25H28N6O — CID 110122568

About 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one

4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one (PubChem CID 110122568) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
• PubChem CID: 110122568
• Molecular Formula: C25H28N6O
• Molecular Weight: 428.54 g/mol
• Exact Mass: 428.23
• IUPAC Name: 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one
• SMILES: Cc1nccn1-c1cccc(C2CCCN2C(=O)CCCn2c(C)nc3ccccc32)n1
• InChI: InChI=1S/C25H28N6O/c1-18-26-14-17-30(18)24-12-5-9-21(28-24)23-11-6-16-31(23)25(32)13-7-15-29-19(2)27-20-8-3-4-10-22(20)29/h3-5,8-10,12,14,17,23H,6-7,11,13,15-16H2,1-2H3
• InChIKey: BNDSRMALSFVXLB-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 68.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.54
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one?

The IUPAC name of 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one (CID 110122568) is 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one.

What is the SMILES notation for 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one?

The canonical SMILES for 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one is Cc1nccn1-c1cccc(C2CCCN2C(=O)CCCn2c(C)nc3ccccc32)n1.

What is the InChIKey of 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one?

The InChIKey is BNDSRMALSFVXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-18-26-14-17-30(18)24-12-5-9-21(28-24)23-11-6-16-31(23)25(32)13-7-15-29-19(2)27-20-8-3-4-10-22(20)29/h3-5,8-10,12,14,17,23H,6-7,11,13,15-16H2,1-2H3.

What are the key properties of 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one?

4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 428.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methylbenzimidazol-1-yl)-1-[2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 110122568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).