1-N-benzylimidazole-1,4-diamine

C10H12N4 — CID 69235507

IUPAC1-N-benzylimidazole-1,4-diamine
SMILESNc1cn(NCc2ccccc2)cn1
InChIInChI=1S/C10H12N4/c11-10-7-14(8-12-10)13-6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,11H2
InChIKeyGUSLVBXQOLPNEK-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.21
Rot. Bonds3

About 1-N-benzylimidazole-1,4-diamine

1-N-benzylimidazole-1,4-diamine (PubChem CID 69235507) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-N-benzylimidazole-1,4-diamine.

Molecular Properties

Compound Name1-N-benzylimidazole-1,4-diamine
PubChem CID69235507
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name1-N-benzylimidazole-1,4-diamine
SMILESNc1cn(NCc2ccccc2)cn1
InChIInChI=1S/C10H12N4/c11-10-7-14(8-12-10)13-6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,11H2
InChIKeyGUSLVBXQOLPNEK-UHFFFAOYSA-N
XLogP1.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-benzylimidazole-1,4-diamine?
The IUPAC name of 1-N-benzylimidazole-1,4-diamine (CID 69235507) is 1-N-benzylimidazole-1,4-diamine.
What is the SMILES notation for 1-N-benzylimidazole-1,4-diamine?
The canonical SMILES for 1-N-benzylimidazole-1,4-diamine is Nc1cn(NCc2ccccc2)cn1.
What is the InChIKey of 1-N-benzylimidazole-1,4-diamine?
The InChIKey is GUSLVBXQOLPNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-10-7-14(8-12-10)13-6-9-4-2-1-3-5-9/h1-5,7-8,13H,6,11H2.
What are the key properties of 1-N-benzylimidazole-1,4-diamine?
1-N-benzylimidazole-1,4-diamine has a molecular weight of 188.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzylimidazole-1,4-diamine is sourced from PubChem (CID 69235507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).