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

C27H18ClN5 — CID 162670345

IUPACN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine
SMILESClc1ccc2nc(-c3ccc(Nc4nc(-c5ccccc5)nc5ccccc45)cc3)[nH]c2c1
InChIInChI=1S/C27H18ClN5/c28-19-12-15-23-24(16-19)32-25(31-23)18-10-13-20(14-11-18)29-27-21-8-4-5-9-22(21)30-26(33-27)17-6-2-1-3-7-17/h1-16H,(H,31,32)(H,29,30,33)
InChIKeyMWYYORALQXXQRF-UHFFFAOYSA-N
MW447.93 g/mol
LogP7.24
Rot. Bonds4

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

N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine (PubChem CID 162670345) has the molecular formula C27H18ClN5 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine
PubChem CID162670345
Molecular FormulaC27H18ClN5
Molecular Weight447.93 g/mol
Exact Mass447.13
IUPAC NameN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine
SMILESClc1ccc2nc(-c3ccc(Nc4nc(-c5ccccc5)nc5ccccc45)cc3)[nH]c2c1
InChIInChI=1S/C27H18ClN5/c28-19-12-15-23-24(16-19)32-25(31-23)18-10-13-20(14-11-18)29-27-21-8-4-5-9-22(21)30-26(33-27)17-6-2-1-3-7-17/h1-16H,(H,31,32)(H,29,30,33)
InChIKeyMWYYORALQXXQRF-UHFFFAOYSA-N
XLogP7.24
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.93
LogP ≤ 57.24
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-phenylquinazolin-4-amine?
The IUPAC name of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine (CID 162670345) is N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine is Clc1ccc2nc(-c3ccc(Nc4nc(-c5ccccc5)nc5ccccc45)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine?
The InChIKey is MWYYORALQXXQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18ClN5/c28-19-12-15-23-24(16-19)32-25(31-23)18-10-13-20(14-11-18)29-27-21-8-4-5-9-22(21)30-26(33-27)17-6-2-1-3-7-17/h1-16H,(H,31,32)(H,29,30,33).
What are the key properties of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine?
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-phenylquinazolin-4-amine has a molecular weight of 447.93 g/mol, XLogP of 7.24, 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-phenylquinazolin-4-amine is sourced from PubChem (CID 162670345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).