(6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C26H22N4 — CID 135904837

About (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

(6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 135904837) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

• Compound Name: (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
• PubChem CID: 135904837
• Molecular Formula: C26H22N4
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.18
• IUPAC Name: (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
• SMILES: Cc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1-c1ccccc1
• InChI: InChI=1S/C26H22N4/c1-17-16-21(18(2)29(17)19-10-4-3-5-11-19)26-27-22-13-7-6-12-20(22)25-28-23-14-8-9-15-24(23)30(25)26/h3-16,26-27H,1-2H3/t26-/m0/s1
• InChIKey: GKASVFHOIQPKEO-SANMLTNESA-N
• XLogP: 6.08
• TPSA: 34.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?

The IUPAC name of (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 135904837) is (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

What is the SMILES notation for (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?

The canonical SMILES for (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is Cc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(C)n1-c1ccccc1.

What is the InChIKey of (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?

The InChIKey is GKASVFHOIQPKEO-SANMLTNESA-N. The full InChI is InChI=1S/C26H22N4/c1-17-16-21(18(2)29(17)19-10-4-3-5-11-19)26-27-22-13-7-6-12-20(22)25-28-23-14-8-9-15-24(23)30(25)26/h3-16,26-27H,1-2H3/t26-/m0/s1.

What are the key properties of (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?

(6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 390.49 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 135904837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).