1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine

C14H18N8 — CID 91384621

IUPAC1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine
SMILESc1c[nH]c(NNCc2ccc(CNNc3ncc[nH]3)cc2)n1
InChIInChI=1S/C14H18N8/c1-2-12(10-20-22-14-17-7-8-18-14)4-3-11(1)9-19-21-13-15-5-6-16-13/h1-8,19-20H,9-10H2,(H2,15,16,21)(H2,17,18,22)
InChIKeyAYPQVJWAJQICAB-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.37
Rot. Bonds8

About 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine

1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine (PubChem CID 91384621) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine
PubChem CID91384621
Molecular FormulaC14H18N8
Molecular Weight298.35 g/mol
Exact Mass298.17
IUPAC Name1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine
SMILESc1c[nH]c(NNCc2ccc(CNNc3ncc[nH]3)cc2)n1
InChIInChI=1S/C14H18N8/c1-2-12(10-20-22-14-17-7-8-18-14)4-3-11(1)9-19-21-13-15-5-6-16-13/h1-8,19-20H,9-10H2,(H2,15,16,21)(H2,17,18,22)
InChIKeyAYPQVJWAJQICAB-UHFFFAOYSA-N
XLogP1.37
TPSA105.48 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.35
LogP ≤ 51.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-1H-imidazol-2-amine
CID 83697845
N-benzyl-1H-imidazol-2-amine
CID 12847936
4-(bromomethyl)-N-(1H-imidazol-2-yl)benzamide
CID 102851678
N-(4-fluorophenyl)-1H-imidazol-2-amine
CID 83695842
N-methylsulfanyl-1H-imidazol-2-amine
CID 163525236
4-[(1H-imidazole-2-carbonylamino)methyl]benzoic acid
CID 110466534
N-(1-phenylpropan-2-yl)-1H-imidazol-2-amine
CID 106571848
N-[(2-methylpyrimidin-4-yl)methyl]-1H-imidazol-2-amine
CID 106564209
N-ethenyl-1H-imidazol-2-amine
CID 119083694
N-bis(1H-imidazol-2-ylamino)phosphinimyl-1H-imidazol-2-amine
CID 86091118
N-propan-2-yl-1H-imidazol-2-amine
CID 55300557
1-[4-(azepan-1-ylmethyl)phenyl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 119111673

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine?
The IUPAC name of 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine (CID 91384621) is 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine is c1c[nH]c(NNCc2ccc(CNNc3ncc[nH]3)cc2)n1.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine?
The InChIKey is AYPQVJWAJQICAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8/c1-2-12(10-20-22-14-17-7-8-18-14)4-3-11(1)9-19-21-13-15-5-6-16-13/h1-8,19-20H,9-10H2,(H2,15,16,21)(H2,17,18,22).
What are the key properties of 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine?
1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine has a molecular weight of 298.35 g/mol, XLogP of 1.37, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-2-[[4-[[2-(1H-imidazol-2-yl)hydrazinyl]methyl]phenyl]methyl]hydrazine is sourced from PubChem (CID 91384621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).