N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine

C22H16N6 — CID 136853822

IUPACN-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine
SMILESC(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)\c1nc2ccccc2[nH]1
InChIInChI=1S/C22H16N6/c1-2-8-15(9-3-1)21-16-10-4-5-11-17(16)26-22(27-21)28-23-14-20-24-18-12-6-7-13-19(18)25-20/h1-14H,(H,24,25)(H,26,27,28)/b23-14-
InChIKeyKYGVAEMRRNYWPU-UCQKPKSFSA-N
MW364.41 g/mol
LogP4.62
Rot. Bonds4

About N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine

N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine (PubChem CID 136853822) has the molecular formula C22H16N6 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine
PubChem CID136853822
Molecular FormulaC22H16N6
Molecular Weight364.41 g/mol
Exact Mass364.14
IUPAC NameN-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine
SMILESC(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)\c1nc2ccccc2[nH]1
InChIInChI=1S/C22H16N6/c1-2-8-15(9-3-1)21-16-10-4-5-11-17(16)26-22(27-21)28-23-14-20-24-18-12-6-7-13-19(18)25-20/h1-14H,(H,24,25)(H,26,27,28)/b23-14-
InChIKeyKYGVAEMRRNYWPU-UCQKPKSFSA-N
XLogP4.62
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(E)-[(6-methyl-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
CID 135529630
3-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]-1H-quinolin-2-one
CID 135533175
7-chloro-4-phenyl-N-[(E)-quinolin-4-ylmethylideneamino]quinazolin-2-amine
CID 119040914
2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
CID 135521814
4-phenyl-2-(3-phenyl-1H-indol-2-yl)quinazoline
CID 175594649
1-(1H-benzimidazol-2-yl)-N-prop-2-enylmethanimine
CID 137179609
6-chloro-4-phenyl-N-[(Z)-quinoxalin-6-ylmethylideneamino]quinazolin-2-amine
CID 6184611
1-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]methanimine
CID 136534856
4-(4-fluorophenyl)-N-methylquinazolin-2-amine
CID 156576968
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-7-methyl-4-phenylquinazolin-2-amine
CID 75534449
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
6-bromo-N-[[3-(dimethylamino)phenyl]methylideneamino]-4-phenylquinazolin-2-amine
CID 126836670

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine?
The IUPAC name of N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine (CID 136853822) is N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine?
The canonical SMILES for N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine is C(=N\Nc1nc(-c2ccccc2)c2ccccc2n1)\c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine?
The InChIKey is KYGVAEMRRNYWPU-UCQKPKSFSA-N. The full InChI is InChI=1S/C22H16N6/c1-2-8-15(9-3-1)21-16-10-4-5-11-17(16)26-22(27-21)28-23-14-20-24-18-12-6-7-13-19(18)25-20/h1-14H,(H,24,25)(H,26,27,28)/b23-14-.
What are the key properties of N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine?
N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine has a molecular weight of 364.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1H-benzimidazol-2-ylmethylideneamino]-4-phenylquinazolin-2-amine is sourced from PubChem (CID 136853822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).