1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine

C30H23N5 — CID 2853195

IUPAC1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(Cn2c(/N=N/c3c(Nc4ccccc4)ccc4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C30H23N5/c1-3-11-22(12-4-1)21-35-28-18-10-9-17-26(28)32-30(35)34-33-29-25-16-8-7-13-23(25)19-20-27(29)31-24-14-5-2-6-15-24/h1-20,31H,21H2/b34-33+
InChIKeyDAEPSCKFIWDJAQ-JEIPZWNWSA-N
MW453.55 g/mol
LogP8.40
Rot. Bonds6

About 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine

1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine (PubChem CID 2853195) has the molecular formula C30H23N5 and a molecular weight of 453.55 g/mol. Its IUPAC name is 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine
PubChem CID2853195
Molecular FormulaC30H23N5
Molecular Weight453.55 g/mol
Exact Mass453.20
IUPAC Name1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine
SMILESc1ccc(Cn2c(/N=N/c3c(Nc4ccccc4)ccc4ccccc34)nc3ccccc32)cc1
InChIInChI=1S/C30H23N5/c1-3-11-22(12-4-1)21-35-28-18-10-9-17-26(28)32-30(35)34-33-29-25-16-8-7-13-23(25)19-20-27(29)31-24-14-5-2-6-15-24/h1-20,31H,21H2/b34-33+
InChIKeyDAEPSCKFIWDJAQ-JEIPZWNWSA-N
XLogP8.40
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine (CID 2853195) is 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine is c1ccc(Cn2c(/N=N/c3c(Nc4ccccc4)ccc4ccccc34)nc3ccccc32)cc1.
What is the InChIKey of 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is DAEPSCKFIWDJAQ-JEIPZWNWSA-N. The full InChI is InChI=1S/C30H23N5/c1-3-11-22(12-4-1)21-35-28-18-10-9-17-26(28)32-30(35)34-33-29-25-16-8-7-13-23(25)19-20-27(29)31-24-14-5-2-6-15-24/h1-20,31H,21H2/b34-33+.
What are the key properties of 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine?
1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 453.55 g/mol, XLogP of 8.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 2853195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).