3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

C34H23N3O2 — CID 136877042

About 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol

3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (PubChem CID 136877042) has the molecular formula C34H23N3O2 and a molecular weight of 505.58 g/mol. Its IUPAC name is 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

Molecular Properties

• Compound Name: 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
• PubChem CID: 136877042
• Molecular Formula: C34H23N3O2
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.18
• IUPAC Name: 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
• SMILES: Oc1ccc2ccccc2c1-c1c(O)c(C2Nc3ccccc3-c3nc4ccccc4n32)cc2ccccc12
• InChI: InChI=1S/C34H23N3O2/c38-29-18-17-20-9-1-3-11-22(20)30(29)31-23-12-4-2-10-21(23)19-25(32(31)39)34-35-26-14-6-5-13-24(26)33-36-27-15-7-8-16-28(27)37(33)34/h1-19,34-35,38-39H
• InChIKey: FQSUDUGNAMEYGL-UHFFFAOYSA-N
• XLogP: 8.06
• TPSA: 70.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?

The IUPAC name of 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol (CID 136877042) is 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol.

What is the SMILES notation for 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?

The canonical SMILES for 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is Oc1ccc2ccccc2c1-c1c(O)c(C2Nc3ccccc3-c3nc4ccccc4n32)cc2ccccc12.

What is the InChIKey of 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?

The InChIKey is FQSUDUGNAMEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23N3O2/c38-29-18-17-20-9-1-3-11-22(20)30(29)31-23-12-4-2-10-21(23)19-25(32(31)39)34-35-26-14-6-5-13-24(26)33-36-27-15-7-8-16-28(27)37(33)34/h1-19,34-35,38-39H.

What are the key properties of 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol?

3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol has a molecular weight of 505.58 g/mol, XLogP of 8.06, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol is sourced from PubChem (CID 136877042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).