(4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one

C19H28N2O — CID 10542265

IUPAC(4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one
SMILESC=CC[C@@H](CC(C)C)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C19H28N2O/c1-6-10-17(13-14(2)3)21-18(15(4)20(5)19(21)22)16-11-8-7-9-12-16/h6-9,11-12,14-15,17-18H,1,10,13H2,2-5H3/t15-,17-,18-/m0/s1
InChIKeyCLHLWZJGITWBAZ-SZMVWBNQSA-N
MW300.45 g/mol
LogP4.47
Rot. Bonds6

About (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one

(4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one (PubChem CID 10542265) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one
PubChem CID10542265
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one
SMILESC=CC[C@@H](CC(C)C)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C19H28N2O/c1-6-10-17(13-14(2)3)21-18(15(4)20(5)19(21)22)16-11-8-7-9-12-16/h6-9,11-12,14-15,17-18H,1,10,13H2,2-5H3/t15-,17-,18-/m0/s1
InChIKeyCLHLWZJGITWBAZ-SZMVWBNQSA-N
XLogP4.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-1-[(3R)-hex-5-en-3-yl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10730915
1,5-dimethyl-4-phenyl-3-propan-2-ylimidazolidin-2-one
CID 20685332
(4R,5S)-1,5-dimethyl-3-[(2S,3S)-3-methyl-2-(2-methylpropyl)-2,3-dihydroazet-4-yl]-4-phenylimidazolidin-2-one
CID 24805680
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392
(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10686826
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4S,5R)-1-buta-2,3-dien-2-yl-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 12061801
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one?
The IUPAC name of (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one (CID 10542265) is (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one?
The canonical SMILES for (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one is C=CC[C@@H](CC(C)C)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1.
What is the InChIKey of (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one?
The InChIKey is CLHLWZJGITWBAZ-SZMVWBNQSA-N. The full InChI is InChI=1S/C19H28N2O/c1-6-10-17(13-14(2)3)21-18(15(4)20(5)19(21)22)16-11-8-7-9-12-16/h6-9,11-12,14-15,17-18H,1,10,13H2,2-5H3/t15-,17-,18-/m0/s1.
What are the key properties of (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one?
(4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one has a molecular weight of 300.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-1,5-dimethyl-3-[(4R)-6-methylhept-1-en-4-yl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 10542265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).