(4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one

C21H38N4O — CID 90740359

IUPAC(4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\N(C)C(=O)N[C@]1(CCC1CCCCC1)C[C@H]1CCC[C@@H](N(C)C)C1
InChIInChI=1S/C21H38N4O/c1-24(2)18-11-7-10-17(14-18)15-21(19(22)25(3)20(26)23-21)13-12-16-8-5-4-6-9-16/h16-18,22H,4-15H2,1-3H3,(H,23,26)/b22-19-/t17-,18+,21+/m0/s1
InChIKeyZWIHBVZSLIMTDF-SDHMLYQMSA-N
MW362.56 g/mol
LogP4.23
Rot. Bonds6

About (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one

(4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one (PubChem CID 90740359) has the molecular formula C21H38N4O and a molecular weight of 362.56 g/mol. Its IUPAC name is (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one
PubChem CID90740359
Molecular FormulaC21H38N4O
Molecular Weight362.56 g/mol
Exact Mass362.30
IUPAC Name(4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one
SMILES[H]/N=C1\N(C)C(=O)N[C@]1(CCC1CCCCC1)C[C@H]1CCC[C@@H](N(C)C)C1
InChIInChI=1S/C21H38N4O/c1-24(2)18-11-7-10-17(14-18)15-21(19(22)25(3)20(26)23-21)13-12-16-8-5-4-6-9-16/h16-18,22H,4-15H2,1-3H3,(H,23,26)/b22-19-/t17-,18+,21+/m0/s1
InChIKeyZWIHBVZSLIMTDF-SDHMLYQMSA-N
XLogP4.23
TPSA59.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one?
The IUPAC name of (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one (CID 90740359) is (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one.
What is the SMILES notation for (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one?
The canonical SMILES for (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one is [H]/N=C1\N(C)C(=O)N[C@]1(CCC1CCCCC1)C[C@H]1CCC[C@@H](N(C)C)C1.
What is the InChIKey of (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one?
The InChIKey is ZWIHBVZSLIMTDF-SDHMLYQMSA-N. The full InChI is InChI=1S/C21H38N4O/c1-24(2)18-11-7-10-17(14-18)15-21(19(22)25(3)20(26)23-21)13-12-16-8-5-4-6-9-16/h16-18,22H,4-15H2,1-3H3,(H,23,26)/b22-19-/t17-,18+,21+/m0/s1.
What are the key properties of (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one?
(4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one has a molecular weight of 362.56 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-cyclohexylethyl)-4-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-5-imino-1-methylimidazolidin-2-one is sourced from PubChem (CID 90740359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).