N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C25H22N4O3 — CID 22426418

About N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 22426418) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 22426418
• Molecular Formula: C25H22N4O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.17
• IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c(=O)[nH]c2C1
• InChI: InChI=1S/C25H22N4O3/c1-25(2)12-20-16(21(30)13-25)11-17(24(32)29-20)23(31)26-15-9-7-14(8-10-15)22-27-18-5-3-4-6-19(18)28-22/h3-11H,12-13H2,1-2H3,(H,26,31)(H,27,28)(H,29,32)
• InChIKey: MDMCABXGBGMSFG-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 107.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 22426418) is N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c(=O)[nH]c2C1.

What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

The InChIKey is MDMCABXGBGMSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-25(2)12-20-16(21(30)13-25)11-17(24(32)29-20)23(31)26-15-9-7-14(8-10-15)22-27-18-5-3-4-6-19(18)28-22/h3-11H,12-13H2,1-2H3,(H,26,31)(H,27,28)(H,29,32).

What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?

N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 22426418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).