N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine

C26H22N4 — CID 171770166

IUPACN-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine
SMILESC/C(=N/Nc1cc(-c2ccccc2)c2cc(C)ccc2c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H22N4/c1-17-12-13-20-15-21(16-23(22(20)14-17)19-8-4-3-5-9-19)30-29-18(2)26-27-24-10-6-7-11-25(24)28-26/h3-16,30H,1-2H3,(H,27,28)/b29-18-
InChIKeyMVNRBHZQSRMINS-MIXAMLLLSA-N
MW390.49 g/mol
LogP6.53
Rot. Bonds4

About N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine

N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine (PubChem CID 171770166) has the molecular formula C26H22N4 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine
PubChem CID171770166
Molecular FormulaC26H22N4
Molecular Weight390.49 g/mol
Exact Mass390.18
IUPAC NameN-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine
SMILESC/C(=N/Nc1cc(-c2ccccc2)c2cc(C)ccc2c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H22N4/c1-17-12-13-20-15-21(16-23(22(20)14-17)19-8-4-3-5-9-19)30-29-18(2)26-27-24-10-6-7-11-25(24)28-26/h3-16,30H,1-2H3,(H,27,28)/b29-18-
InChIKeyMVNRBHZQSRMINS-MIXAMLLLSA-N
XLogP6.53
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[(E)-[(1E)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
CID 135773416
N-[(E)-[(1Z)-1-(1H-benzimidazol-2-yl)-1-(phenylhydrazinylidene)propan-2-ylidene]amino]aniline
CID 135576795
6-methyl-N,4-diphenylquinolin-2-amine
CID 139231040
1-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3-hydroxyurea
CID 135580435
N-[bis(1H-benzimidazol-2-yl)methylideneamino]-4-methoxyaniline
CID 135921055
N-[1-(1H-benzimidazol-2-yl)ethylideneamino]-2-cyanoacetamide
CID 137304921
N-[(E)-1-(1H-benzimidazol-2-yl)ethylideneamino]-3,4-dimethoxybenzamide
CID 135768548
(2E)-N-(3-fluoroanilino)-1H-benzimidazole-2-carboximidoyl cyanide
CID 135576853
2-(4-methylphenyl)-N-[1-(4-methylphenyl)ethylideneamino]quinazolin-4-amine
CID 2848406
N-[1-(2,6-difluorophenyl)ethylideneamino]-1H-benzimidazol-2-amine
CID 3966393
2-(1H-benzimidazol-2-yl)-3-hydroxy-4-[(Z)-1-(4-methylphenyl)ethylideneamino]oxybut-2-enenitrile
CID 135927564
(6-methyl-1H-benzimidazol-2-yl)-phenylmethanone
CID 57126569

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine?
The IUPAC name of N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine (CID 171770166) is N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine?
The canonical SMILES for N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine is C/C(=N/Nc1cc(-c2ccccc2)c2cc(C)ccc2c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine?
The InChIKey is MVNRBHZQSRMINS-MIXAMLLLSA-N. The full InChI is InChI=1S/C26H22N4/c1-17-12-13-20-15-21(16-23(22(20)14-17)19-8-4-3-5-9-19)30-29-18(2)26-27-24-10-6-7-11-25(24)28-26/h3-16,30H,1-2H3,(H,27,28)/b29-18-.
What are the key properties of N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine?
N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine has a molecular weight of 390.49 g/mol, XLogP of 6.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1H-benzimidazol-2-yl)ethylideneamino]-6-methyl-4-phenylnaphthalen-2-amine is sourced from PubChem (CID 171770166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).