[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine

C13H18N4 — CID 116884087

IUPAC[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine
SMILESCC(C)Cc1ccc(-c2cnc(NN)[nH]2)cc1
InChIInChI=1S/C13H18N4/c1-9(2)7-10-3-5-11(6-4-10)12-8-15-13(16-12)17-14/h3-6,8-9H,7,14H2,1-2H3,(H2,15,16,17)
InChIKeyGDPSIALKQHXMMK-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.56
Rot. Bonds4

About [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine

[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine (PubChem CID 116884087) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine
PubChem CID116884087
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine
SMILESCC(C)Cc1ccc(-c2cnc(NN)[nH]2)cc1
InChIInChI=1S/C13H18N4/c1-9(2)7-10-3-5-11(6-4-10)12-8-15-13(16-12)17-14/h3-6,8-9H,7,14H2,1-2H3,(H2,15,16,17)
InChIKeyGDPSIALKQHXMMK-UHFFFAOYSA-N
XLogP2.56
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]propan-1-amine
CID 65232619
[5-(4-ethylsulfanylphenyl)-1H-imidazol-2-yl]hydrazine
CID 116884155
5-[4-(2-methylpropyl)phenyl]-1H-imidazole-2-carbonitrile
CID 116879850
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethylcarbamic acid
CID 68887507
3-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]piperidine
CID 43651004
[5-(2-methyl-3H-benzimidazol-5-yl)-1H-imidazol-2-yl]hydrazine
CID 116884165
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-imidazol-2-yl]hydrazine
CID 116884079
[5-[4-(2-methylpropoxy)phenyl]-1H-imidazol-2-yl]methanamine
CID 95457106
5-[4-[2-(4-chlorophenyl)ethoxy]phenyl]-2-(2-methylpropyl)-1H-imidazole
CID 142805619
1-[5-(4-phenylphenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60842314
N-methyl-1-[4-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
CID 59598048

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine?
The IUPAC name of [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine (CID 116884087) is [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine.
What is the SMILES notation for [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine?
The canonical SMILES for [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine is CC(C)Cc1ccc(-c2cnc(NN)[nH]2)cc1.
What is the InChIKey of [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine?
The InChIKey is GDPSIALKQHXMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)7-10-3-5-11(6-4-10)12-8-15-13(16-12)17-14/h3-6,8-9H,7,14H2,1-2H3,(H2,15,16,17).
What are the key properties of [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine?
[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine has a molecular weight of 230.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]hydrazine is sourced from PubChem (CID 116884087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).