1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one

C14H24N2O — CID 167041476

IUPAC1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one
SMILESCC1CC(C(C)C)CCCc2c1[nH]c(=O)n2C
InChIInChI=1S/C14H24N2O/c1-9(2)11-6-5-7-12-13(10(3)8-11)15-14(17)16(12)4/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyPSAIQOBEYRXEDM-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.82
Rot. Bonds1

About 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one

1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one (PubChem CID 167041476) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one.

Molecular Properties

Compound Name1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one
PubChem CID167041476
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one
SMILESCC1CC(C(C)C)CCCc2c1[nH]c(=O)n2C
InChIInChI=1S/C14H24N2O/c1-9(2)11-6-5-7-12-13(10(3)8-11)15-14(17)16(12)4/h9-11H,5-8H2,1-4H3,(H,15,17)
InChIKeyPSAIQOBEYRXEDM-UHFFFAOYSA-N
XLogP2.82
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one?
The IUPAC name of 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one (CID 167041476) is 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one.
What is the SMILES notation for 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one?
The canonical SMILES for 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one is CC1CC(C(C)C)CCCc2c1[nH]c(=O)n2C.
What is the InChIKey of 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one?
The InChIKey is PSAIQOBEYRXEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-9(2)11-6-5-7-12-13(10(3)8-11)15-14(17)16(12)4/h9-11H,5-8H2,1-4H3,(H,15,17).
What are the key properties of 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one?
1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one has a molecular weight of 236.36 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-6-propan-2-yl-4,5,6,7,8,9-hexahydro-3H-cycloocta[d]imidazol-2-one is sourced from PubChem (CID 167041476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).