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

C25H22N4O3 — CID 56560006

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

N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56560006) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• PubChem CID: 56560006
• Molecular Formula: C25H22N4O3
• Molecular Weight: 426.48 g/mol
• Exact Mass: 426.17
• IUPAC Name: N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
• SMILES: CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c(=O)[nH]c2C1
• InChI: InChI=1S/C25H22N4O3/c1-25(2)12-20-17(22(30)13-25)11-18(24(32)28-20)23(31)27-15-7-9-16(10-8-15)29-14-26-19-5-3-4-6-21(19)29/h3-11,14H,12-13H2,1-2H3,(H,27,31)(H,28,32)
• InChIKey: LHWSWUQHEOVBSB-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 96.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.48
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56560006) is N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

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

The canonical SMILES for N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is CC1(C)CC(=O)c2cc(C(=O)Nc3ccc(-n4cnc5ccccc54)cc3)c(=O)[nH]c2C1.

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

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

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

N-[4-(benzimidazol-1-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 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(benzimidazol-1-yl)phenyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56560006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).