N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine

C18H19N5 — CID 826309

IUPACN-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine
SMILESCN(C)/N=N/c1ccc(-c2cn(Cc3ccccc3)cn2)cc1
InChIInChI=1S/C18H19N5/c1-22(2)21-20-17-10-8-16(9-11-17)18-13-23(14-19-18)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/b21-20+
InChIKeyADUCKIPCSWJRSM-QZQOTICOSA-N
MW305.39 g/mol
LogP4.16
Rot. Bonds5

About N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine

N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine (PubChem CID 826309) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine
PubChem CID826309
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC NameN-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine
SMILESCN(C)/N=N/c1ccc(-c2cn(Cc3ccccc3)cn2)cc1
InChIInChI=1S/C18H19N5/c1-22(2)21-20-17-10-8-16(9-11-17)18-13-23(14-19-18)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/b21-20+
InChIKeyADUCKIPCSWJRSM-QZQOTICOSA-N
XLogP4.16
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine?
The IUPAC name of N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine (CID 826309) is N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine.
What is the SMILES notation for N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine?
The canonical SMILES for N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine is CN(C)/N=N/c1ccc(-c2cn(Cc3ccccc3)cn2)cc1.
What is the InChIKey of N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine?
The InChIKey is ADUCKIPCSWJRSM-QZQOTICOSA-N. The full InChI is InChI=1S/C18H19N5/c1-22(2)21-20-17-10-8-16(9-11-17)18-13-23(14-19-18)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/b21-20+.
What are the key properties of N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine?
N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine has a molecular weight of 305.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-benzylimidazol-4-yl)phenyl]diazenyl]-N-methylmethanamine is sourced from PubChem (CID 826309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).