1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one

C19H27N3O3S — CID 3595055

IUPAC1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one
SMILESCS(=O)(=O)N1Cc2ccc(N3CCN(CC4CCCCC4)C3=O)cc2C1
InChIInChI=1S/C19H27N3O3S/c1-26(24,25)21-13-16-7-8-18(11-17(16)14-21)22-10-9-20(19(22)23)12-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12-14H2,1H3
InChIKeyBDFMQIASKWBFON-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.78
Rot. Bonds4

About 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one

1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one (PubChem CID 3595055) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one
PubChem CID3595055
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one
SMILESCS(=O)(=O)N1Cc2ccc(N3CCN(CC4CCCCC4)C3=O)cc2C1
InChIInChI=1S/C19H27N3O3S/c1-26(24,25)21-13-16-7-8-18(11-17(16)14-21)22-10-9-20(19(22)23)12-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12-14H2,1H3
InChIKeyBDFMQIASKWBFON-UHFFFAOYSA-N
XLogP2.78
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one (CID 3595055) is 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one is CS(=O)(=O)N1Cc2ccc(N3CCN(CC4CCCCC4)C3=O)cc2C1.
What is the InChIKey of 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one?
The InChIKey is BDFMQIASKWBFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-26(24,25)21-13-16-7-8-18(11-17(16)14-21)22-10-9-20(19(22)23)12-15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12-14H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one?
1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one has a molecular weight of 377.51 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-3-(2-methylsulfonyl-1,3-dihydroisoindol-5-yl)imidazolidin-2-one is sourced from PubChem (CID 3595055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).