1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one

C17H22N4O2 — CID 70756934

IUPAC1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CNC3)cc1N1CCNC1=O
InChIInChI=1S/C17H22N4O2/c1-11-2-3-12(8-15(11)20-7-6-19-17(20)23)16(22)21-13-4-5-14(21)10-18-9-13/h2-3,8,13-14,18H,4-7,9-10H2,1H3,(H,19,23)/t13-,14+
InChIKeyRPFQGLXKKJFIOL-OKILXGFUSA-N
MW314.39 g/mol
LogP1.10
Rot. Bonds2

About 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one

1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 70756934) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
PubChem CID70756934
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2[C@@H]3CC[C@H]2CNC3)cc1N1CCNC1=O
InChIInChI=1S/C17H22N4O2/c1-11-2-3-12(8-15(11)20-7-6-19-17(20)23)16(22)21-13-4-5-14(21)10-18-9-13/h2-3,8,13-14,18H,4-7,9-10H2,1H3,(H,19,23)/t13-,14+
InChIKeyRPFQGLXKKJFIOL-OKILXGFUSA-N
XLogP1.10
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one with MolForge

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Related Compounds

(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 70761074
1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117
1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 72910098
N-[(3aR,5S,6S,7aS)-6-hydroxy-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 172911052
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 156606116
1-[2-methyl-5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97156710
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one
CID 56875042
4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 50955536
1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 157016998

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one (CID 70756934) is 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one is Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2CNC3)cc1N1CCNC1=O.
What is the InChIKey of 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is RPFQGLXKKJFIOL-OKILXGFUSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11-2-3-12(8-15(11)20-7-6-19-17(20)23)16(22)21-13-4-5-14(21)10-18-9-13/h2-3,8,13-14,18H,4-7,9-10H2,1H3,(H,19,23)/t13-,14+.
What are the key properties of 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one?
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 70756934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).