1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene

C17H16N4 — CID 136666247

IUPAC1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene
SMILESC/C(=C\N=N\c1nc2ccccc2[nH]1)Cc1ccccc1
InChIInChI=1S/C17H16N4/c1-13(11-14-7-3-2-4-8-14)12-18-21-17-19-15-9-5-6-10-16(15)20-17/h2-10,12H,11H2,1H3,(H,19,20)/b13-12+,21-18+
InChIKeyMWBWUEHPXIWBKC-UVNARHGHSA-N
MW276.34 g/mol
LogP4.79
Rot. Bonds4

About 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene

1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene (PubChem CID 136666247) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene
PubChem CID136666247
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene
SMILESC/C(=C\N=N\c1nc2ccccc2[nH]1)Cc1ccccc1
InChIInChI=1S/C17H16N4/c1-13(11-14-7-3-2-4-8-14)12-18-21-17-19-15-9-5-6-10-16(15)20-17/h2-10,12H,11H2,1H3,(H,19,20)/b13-12+,21-18+
InChIKeyMWBWUEHPXIWBKC-UVNARHGHSA-N
XLogP4.79
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-amino-N-(1H-benzimidazol-2-ylimino)-2-phenylethanimidamide
CID 137229351
N-[(E)-1H-benzimidazol-2-yldiazenyl]-N-methylmethanamine
CID 137249906
N-(1H-benzimidazol-2-yl)-2-methylprop-1-en-1-imine
CID 23341799
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
(NZ)-N-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 25344926
2-(2-methylidenebut-3-enyl)-1H-benzimidazole
CID 163413437
1-[2-(1H-benzimidazol-2-yl)ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134715
N-(1H-benzimidazol-2-yl)-3-[(2-phenylacetyl)amino]propanamide
CID 51309089
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;trichlorochromium(1+)
CID 91865506
N,N-bis(1H-benzimidazol-2-ylmethyl)-1-phenylmethanamine;dichloromanganese
CID 21107923
2-(1H-benzimidazol-2-yl)-N'-ethylethanimidamide
CID 63640669

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene?
The IUPAC name of 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene (CID 136666247) is 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene.
What is the SMILES notation for 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene?
The canonical SMILES for 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene is C/C(=C\N=N\c1nc2ccccc2[nH]1)Cc1ccccc1.
What is the InChIKey of 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene?
The InChIKey is MWBWUEHPXIWBKC-UVNARHGHSA-N. The full InChI is InChI=1S/C17H16N4/c1-13(11-14-7-3-2-4-8-14)12-18-21-17-19-15-9-5-6-10-16(15)20-17/h2-10,12H,11H2,1H3,(H,19,20)/b13-12+,21-18+.
What are the key properties of 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene?
1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene has a molecular weight of 276.34 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[(E)-2-methyl-3-phenylprop-1-enyl]diazene is sourced from PubChem (CID 136666247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).