2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine

C27H17ClFN5 — CID 162660639

IUPAC2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine
SMILESFc1ccc2nc(-c3ccc(Nc4nc(-c5ccc(Cl)cc5)nc5ccccc45)cc3)[nH]c2c1
InChIInChI=1S/C27H17ClFN5/c28-18-9-5-16(6-10-18)26-31-22-4-2-1-3-21(22)27(34-26)30-20-12-7-17(8-13-20)25-32-23-14-11-19(29)15-24(23)33-25/h1-15H,(H,32,33)(H,30,31,34)
InChIKeyFRZWHONIXGTURD-UHFFFAOYSA-N
MW465.92 g/mol
LogP7.38
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine

2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine (PubChem CID 162660639) has the molecular formula C27H17ClFN5 and a molecular weight of 465.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine
PubChem CID162660639
Molecular FormulaC27H17ClFN5
Molecular Weight465.92 g/mol
Exact Mass465.12
IUPAC Name2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine
SMILESFc1ccc2nc(-c3ccc(Nc4nc(-c5ccc(Cl)cc5)nc5ccccc45)cc3)[nH]c2c1
InChIInChI=1S/C27H17ClFN5/c28-18-9-5-16(6-10-18)26-31-22-4-2-1-3-21(22)27(34-26)30-20-12-7-17(8-13-20)25-32-23-14-11-19(29)15-24(23)33-25/h1-15H,(H,32,33)(H,30,31,34)
InChIKeyFRZWHONIXGTURD-UHFFFAOYSA-N
XLogP7.38
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.92
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine (CID 162660639) is 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine is Fc1ccc2nc(-c3ccc(Nc4nc(-c5ccc(Cl)cc5)nc5ccccc45)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine?
The InChIKey is FRZWHONIXGTURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17ClFN5/c28-18-9-5-16(6-10-18)26-31-22-4-2-1-3-21(22)27(34-26)30-20-12-7-17(8-13-20)25-32-23-14-11-19(29)15-24(23)33-25/h1-15H,(H,32,33)(H,30,31,34).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine?
2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine has a molecular weight of 465.92 g/mol, XLogP of 7.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 162660639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).