3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole

C10H14N4 — CID 140996123

IUPAC3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole
SMILESc1ccc(C23NCNC2NCN3)cc1
InChIInChI=1S/C10H14N4/c1-2-4-8(5-3-1)10-9(11-6-13-10)12-7-14-10/h1-5,9,11-14H,6-7H2
InChIKeyVPXCSQDUOMZMBK-UHFFFAOYSA-N
MW190.25 g/mol
LogP-0.53
Rot. Bonds1

About 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole

3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole (PubChem CID 140996123) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole.

Molecular Properties

Compound Name3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole
PubChem CID140996123
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole
SMILESc1ccc(C23NCNC2NCN3)cc1
InChIInChI=1S/C10H14N4/c1-2-4-8(5-3-1)10-9(11-6-13-10)12-7-14-10/h1-5,9,11-14H,6-7H2
InChIKeyVPXCSQDUOMZMBK-UHFFFAOYSA-N
XLogP-0.53
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole?
The IUPAC name of 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole (CID 140996123) is 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole.
What is the SMILES notation for 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole?
The canonical SMILES for 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole is c1ccc(C23NCNC2NCN3)cc1.
What is the InChIKey of 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole?
The InChIKey is VPXCSQDUOMZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-4-8(5-3-1)10-9(11-6-13-10)12-7-14-10/h1-5,9,11-14H,6-7H2.
What are the key properties of 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole?
3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole has a molecular weight of 190.25 g/mol, XLogP of -0.53, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-phenyl-2,3,4,5,6,6a-hexahydro-1H-imidazo[4,5-d]imidazole is sourced from PubChem (CID 140996123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).