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

C27H17Cl2N5 — CID 162660424

IUPACN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine
SMILESClc1ccc(-c2nc(Nc3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H17Cl2N5/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)
InChIKeyRVCYXKPYBDMWDI-UHFFFAOYSA-N
MW482.37 g/mol
LogP7.89
Rot. Bonds4

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

N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine (PubChem CID 162660424) has the molecular formula C27H17Cl2N5 and a molecular weight of 482.37 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine
PubChem CID162660424
Molecular FormulaC27H17Cl2N5
Molecular Weight482.37 g/mol
Exact Mass481.09
IUPAC NameN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine
SMILESClc1ccc(-c2nc(Nc3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C27H17Cl2N5/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)
InChIKeyRVCYXKPYBDMWDI-UHFFFAOYSA-N
XLogP7.89
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.37
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine?
The IUPAC name of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine (CID 162660424) is N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine.
What is the SMILES notation for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine?
The canonical SMILES for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine is Clc1ccc(-c2nc(Nc3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine?
The InChIKey is RVCYXKPYBDMWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17Cl2N5/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 N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine?
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine has a molecular weight of 482.37 g/mol, XLogP of 7.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)quinazolin-4-amine is sourced from PubChem (CID 162660424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).