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

C25H21N5 — CID 3123552

IUPAC1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine
SMILESCCn1c(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C25H21N5/c1-2-30-23-15-9-8-14-21(23)27-25(30)29-28-24-20-13-7-6-10-18(20)16-17-22(24)26-19-11-4-3-5-12-19/h3-17,26H,2H2,1H3/b29-28+
InChIKeyPQSZUBCYMXTAKK-ZQHSETAFSA-N
MW391.48 g/mol
LogP7.37
Rot. Bonds5

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

1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine (PubChem CID 3123552) has the molecular formula C25H21N5 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound Name1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine
PubChem CID3123552
Molecular FormulaC25H21N5
Molecular Weight391.48 g/mol
Exact Mass391.18
IUPAC Name1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine
SMILESCCn1c(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)nc2ccccc21
InChIInChI=1S/C25H21N5/c1-2-30-23-15-9-8-14-21(23)27-25(30)29-28-24-20-13-7-6-10-18(20)16-17-22(24)26-19-11-4-3-5-12-19/h3-17,26H,2H2,1H3/b29-28+
InChIKeyPQSZUBCYMXTAKK-ZQHSETAFSA-N
XLogP7.37
TPSA54.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.48
LogP ≤ 57.37
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-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of 1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine (CID 3123552) is 1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for 1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for 1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine is CCn1c(/N=N/c2c(Nc3ccccc3)ccc3ccccc23)nc2ccccc21.
What is the InChIKey of 1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is PQSZUBCYMXTAKK-ZQHSETAFSA-N. The full InChI is InChI=1S/C25H21N5/c1-2-30-23-15-9-8-14-21(23)27-25(30)29-28-24-20-13-7-6-10-18(20)16-17-22(24)26-19-11-4-3-5-12-19/h3-17,26H,2H2,1H3/b29-28+.
What are the key properties of 1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine?
1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 391.48 g/mol, XLogP of 7.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylbenzimidazol-2-yl)diazenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 3123552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).