5-azido-1-(3-methylphenyl)benzimidazole

C14H11N5 — CID 169325293

IUPAC5-azido-1-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-n2cnc3cc(N=[N+]=[N-])ccc32)c1
InChIInChI=1S/C14H11N5/c1-10-3-2-4-12(7-10)19-9-16-13-8-11(17-18-15)5-6-14(13)19/h2-9H,1H3
InChIKeyNTXKCNJFJXOYTQ-UHFFFAOYSA-N
MW249.28 g/mol
LogP4.28
Rot. Bonds2

About 5-azido-1-(3-methylphenyl)benzimidazole

5-azido-1-(3-methylphenyl)benzimidazole (PubChem CID 169325293) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-azido-1-(3-methylphenyl)benzimidazole.

Molecular Properties

Compound Name5-azido-1-(3-methylphenyl)benzimidazole
PubChem CID169325293
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-azido-1-(3-methylphenyl)benzimidazole
SMILESCc1cccc(-n2cnc3cc(N=[N+]=[N-])ccc32)c1
InChIInChI=1S/C14H11N5/c1-10-3-2-4-12(7-10)19-9-16-13-8-11(17-18-15)5-6-14(13)19/h2-9H,1H3
InChIKeyNTXKCNJFJXOYTQ-UHFFFAOYSA-N
XLogP4.28
TPSA66.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-azido-1-(3-methylphenyl)benzimidazole?
The IUPAC name of 5-azido-1-(3-methylphenyl)benzimidazole (CID 169325293) is 5-azido-1-(3-methylphenyl)benzimidazole.
What is the SMILES notation for 5-azido-1-(3-methylphenyl)benzimidazole?
The canonical SMILES for 5-azido-1-(3-methylphenyl)benzimidazole is Cc1cccc(-n2cnc3cc(N=[N+]=[N-])ccc32)c1.
What is the InChIKey of 5-azido-1-(3-methylphenyl)benzimidazole?
The InChIKey is NTXKCNJFJXOYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-10-3-2-4-12(7-10)19-9-16-13-8-11(17-18-15)5-6-14(13)19/h2-9H,1H3.
What are the key properties of 5-azido-1-(3-methylphenyl)benzimidazole?
5-azido-1-(3-methylphenyl)benzimidazole has a molecular weight of 249.28 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azido-1-(3-methylphenyl)benzimidazole is sourced from PubChem (CID 169325293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).