(5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide

C5H8N4 — CID 55288238

IUPAC(5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide
SMILESCC1CN=C(NC#N)N1
InChIInChI=1S/C5H8N4/c1-4-2-7-5(9-4)8-3-6/h4H,2H2,1H3,(H2,7,8,9)
InChIKeyMWBFNHMAAAQSCT-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.60
Rot. Bonds

About (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide

(5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide (PubChem CID 55288238) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide.

Molecular Properties

Compound Name(5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide
PubChem CID55288238
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name(5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide
SMILESCC1CN=C(NC#N)N1
InChIInChI=1S/C5H8N4/c1-4-2-7-5(9-4)8-3-6/h4H,2H2,1H3,(H2,7,8,9)
InChIKeyMWBFNHMAAAQSCT-UHFFFAOYSA-N
XLogP-0.60
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide?
The IUPAC name of (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide (CID 55288238) is (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide.
What is the SMILES notation for (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide?
The canonical SMILES for (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide is CC1CN=C(NC#N)N1.
What is the InChIKey of (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide?
The InChIKey is MWBFNHMAAAQSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-4-2-7-5(9-4)8-3-6/h4H,2H2,1H3,(H2,7,8,9).
What are the key properties of (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide?
(5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide has a molecular weight of 124.15 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4,5-dihydro-1H-imidazol-2-yl)cyanamide is sourced from PubChem (CID 55288238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).