4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline

C23H18FN5 — CID 123494448

IUPAC4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline
SMILESCCCc1ccc2nc(-c3cccnc3)nc(-n3cnc4cc(F)ccc43)c2c1
InChIInChI=1S/C23H18FN5/c1-2-4-15-6-8-19-18(11-15)23(28-22(27-19)16-5-3-10-25-13-16)29-14-26-20-12-17(24)7-9-21(20)29/h3,5-14H,2,4H2,1H3
InChIKeyZBNZSAOFDRMRIO-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.12
Rot. Bonds4

About 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline

4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline (PubChem CID 123494448) has the molecular formula C23H18FN5 and a molecular weight of 383.43 g/mol. Its IUPAC name is 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline
PubChem CID123494448
Molecular FormulaC23H18FN5
Molecular Weight383.43 g/mol
Exact Mass383.15
IUPAC Name4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline
SMILESCCCc1ccc2nc(-c3cccnc3)nc(-n3cnc4cc(F)ccc43)c2c1
InChIInChI=1S/C23H18FN5/c1-2-4-15-6-8-19-18(11-15)23(28-22(27-19)16-5-3-10-25-13-16)29-14-26-20-12-17(24)7-9-21(20)29/h3,5-14H,2,4H2,1H3
InChIKeyZBNZSAOFDRMRIO-UHFFFAOYSA-N
XLogP5.12
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline (CID 123494448) is 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline is CCCc1ccc2nc(-c3cccnc3)nc(-n3cnc4cc(F)ccc43)c2c1.
What is the InChIKey of 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline?
The InChIKey is ZBNZSAOFDRMRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5/c1-2-4-15-6-8-19-18(11-15)23(28-22(27-19)16-5-3-10-25-13-16)29-14-26-20-12-17(24)7-9-21(20)29/h3,5-14H,2,4H2,1H3.
What are the key properties of 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline?
4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline has a molecular weight of 383.43 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluorobenzimidazol-1-yl)-6-propyl-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 123494448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).