di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane

C14H32N8O2 — CID 159445529

IUPACdi(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane
SMILESC.C.CN.CN.CNC(=O)NC.O=C(n1ccnc1)n1ccnc1
InChIInChI=1S/C7H6N4O.C3H8N2O.2CH5N.2CH4/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-4-3(6)5-2;2*1-2;;/h1-6H;1-2H3,(H2,4,5,6);2*2H2,1H3;2*1H4
InChIKeyLSSDNIVPJWCNEU-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.56
Rot. Bonds

About di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane

di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane (PubChem CID 159445529) has the molecular formula C14H32N8O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane.

Molecular Properties

Compound Namedi(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane
PubChem CID159445529
Molecular FormulaC14H32N8O2
Molecular Weight344.46 g/mol
Exact Mass344.26
IUPAC Namedi(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane
SMILESC.C.CN.CN.CNC(=O)NC.O=C(n1ccnc1)n1ccnc1
InChIInChI=1S/C7H6N4O.C3H8N2O.2CH5N.2CH4/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-4-3(6)5-2;2*1-2;;/h1-6H;1-2H3,(H2,4,5,6);2*2H2,1H3;2*1H4
InChIKeyLSSDNIVPJWCNEU-UHFFFAOYSA-N
XLogP0.56
TPSA145.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane?
The IUPAC name of di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane (CID 159445529) is di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane.
What is the SMILES notation for di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane?
The canonical SMILES for di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane is C.C.CN.CN.CNC(=O)NC.O=C(n1ccnc1)n1ccnc1.
What is the InChIKey of di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane?
The InChIKey is LSSDNIVPJWCNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O.C3H8N2O.2CH5N.2CH4/c12-7(10-3-1-8-5-10)11-4-2-9-6-11;1-4-3(6)5-2;2*1-2;;/h1-6H;1-2H3,(H2,4,5,6);2*2H2,1H3;2*1H4.
What are the key properties of di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane?
di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane has a molecular weight of 344.46 g/mol, XLogP of 0.56, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for di(imidazol-1-yl)methanone;1,3-dimethylurea;methanamine;methane is sourced from PubChem (CID 159445529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).