N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide

C4H8N4 — CID 91806366

IUPACN'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide
SMILESNC=NC1=NCCN1
InChIInChI=1S/C4H8N4/c5-3-8-4-6-1-2-7-4/h3H,1-2H2,(H3,5,6,7,8)
InChIKeyBCHPHKMZXSKJGZ-UHFFFAOYSA-N
MW112.14 g/mol
LogP-1.07
Rot. Bonds

About N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide

N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide (PubChem CID 91806366) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide
PubChem CID91806366
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC NameN'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide
SMILESNC=NC1=NCCN1
InChIInChI=1S/C4H8N4/c5-3-8-4-6-1-2-7-4/h3H,1-2H2,(H3,5,6,7,8)
InChIKeyBCHPHKMZXSKJGZ-UHFFFAOYSA-N
XLogP-1.07
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide?
The IUPAC name of N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide (CID 91806366) is N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide.
What is the SMILES notation for N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide?
The canonical SMILES for N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide is NC=NC1=NCCN1.
What is the InChIKey of N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide?
The InChIKey is BCHPHKMZXSKJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c5-3-8-4-6-1-2-7-4/h3H,1-2H2,(H3,5,6,7,8).
What are the key properties of N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide?
N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide has a molecular weight of 112.14 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,5-dihydro-1H-imidazol-2-yl)methanimidamide is sourced from PubChem (CID 91806366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).