ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene

C12H16N4 — CID 123493983

IUPACethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene
SMILESCC/N=N/C(C)c1nc2c(C)cccc2[nH]1
InChIInChI=1S/C12H16N4/c1-4-13-16-9(3)12-14-10-7-5-6-8(2)11(10)15-12/h5-7,9H,4H2,1-3H3,(H,14,15)/b16-13+
InChIKeyGVWQRPUNCWXPMM-DTQAZKPQSA-N
MW216.29 g/mol
LogP3.40
Rot. Bonds3

About ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene

ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene (PubChem CID 123493983) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene.

Molecular Properties

Compound Nameethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene
PubChem CID123493983
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Nameethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene
SMILESCC/N=N/C(C)c1nc2c(C)cccc2[nH]1
InChIInChI=1S/C12H16N4/c1-4-13-16-9(3)12-14-10-7-5-6-8(2)11(10)15-12/h5-7,9H,4H2,1-3H3,(H,14,15)/b16-13+
InChIKeyGVWQRPUNCWXPMM-DTQAZKPQSA-N
XLogP3.40
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 53.40
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'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene?
The IUPAC name of ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene (CID 123493983) is ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene.
What is the SMILES notation for ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene?
The canonical SMILES for ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene is CC/N=N/C(C)c1nc2c(C)cccc2[nH]1.
What is the InChIKey of ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene?
The InChIKey is GVWQRPUNCWXPMM-DTQAZKPQSA-N. The full InChI is InChI=1S/C12H16N4/c1-4-13-16-9(3)12-14-10-7-5-6-8(2)11(10)15-12/h5-7,9H,4H2,1-3H3,(H,14,15)/b16-13+.
What are the key properties of ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene?
ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene has a molecular weight of 216.29 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[1-(4-methyl-1H-benzimidazol-2-yl)ethyl]diazene is sourced from PubChem (CID 123493983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).