1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

C19H27N3O2 — CID 94823949

IUPAC1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCC(C)(C)C[C@@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)13-16-8-5-10-21(16)17(23)14-6-4-7-15(12-14)22-11-9-20-18(22)24/h4,6-7,12,16H,5,8-11,13H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyDNDKJLYJGSOLGK-INIZCTEOSA-N
MW329.44 g/mol
LogP3.26
Rot. Bonds3

About 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one

1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 94823949) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
PubChem CID94823949
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
SMILESCC(C)(C)C[C@@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C19H27N3O2/c1-19(2,3)13-16-8-5-10-21(16)17(23)14-6-4-7-15(12-14)22-11-9-20-18(22)24/h4,6-7,12,16H,5,8-11,13H2,1-3H3,(H,20,24)/t16-/m0/s1
InChIKeyDNDKJLYJGSOLGK-INIZCTEOSA-N
XLogP3.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823950
1-[3-(3-methylmorpholine-4-carbonyl)phenyl]imidazolidin-2-one
CID 51087000
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 166190059
3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]-N-methoxy-N-methylbenzenesulfonamide
CID 52517146
1-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 124590622
2-[cyclobutyl-[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 146135248
[(1S,2S)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815046
[(1S,2R)-2-methoxycyclohexyl] 3-(2-oxoimidazolidin-1-yl)benzoate
CID 94815045
1-[3-[3-[2-(2-fluorophenyl)ethyl]piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 56866152
N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
N-benzyl-N-(2,2-dimethylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 138997006

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one (CID 94823949) is 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is CC(C)(C)C[C@@H]1CCCN1C(=O)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
The InChIKey is DNDKJLYJGSOLGK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-19(2,3)13-16-8-5-10-21(16)17(23)14-6-4-7-15(12-14)22-11-9-20-18(22)24/h4,6-7,12,16H,5,8-11,13H2,1-3H3,(H,20,24)/t16-/m0/s1.
What are the key properties of 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one?
1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 329.44 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 94823949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).