(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one

C21H23N3O — CID 29085956

IUPAC(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@H](c2ncc(-c3cccc4ccccc34)[nH]2)CC1=O
InChIInChI=1S/C21H23N3O/c1-14(2)12-24-13-16(10-20(24)25)21-22-11-19(23-21)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,11,14,16H,10,12-13H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyWKGONWRQSCQLMO-MRXNPFEDSA-N
MW333.44 g/mol
LogP4.20
Rot. Bonds4

About (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one

(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one (PubChem CID 29085956) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one
PubChem CID29085956
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one
SMILESCC(C)CN1C[C@H](c2ncc(-c3cccc4ccccc34)[nH]2)CC1=O
InChIInChI=1S/C21H23N3O/c1-14(2)12-24-13-16(10-20(24)25)21-22-11-19(23-21)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,11,14,16H,10,12-13H2,1-2H3,(H,22,23)/t16-/m1/s1
InChIKeyWKGONWRQSCQLMO-MRXNPFEDSA-N
XLogP4.20
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-alpha-Amino-N-2-naphthyl-1H-imidazole-4-propionamide
CID 110993
(S)-1-methyl-N-(1-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)-7-oxooctyl)piperidine-4-carboxamide
CID 16049824
methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]anthracen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 49765036
methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9,10-dihydrophenanthren-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 49869425
N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]acetamide
CID 67146713
methyl N-[(2S)-1-[(2S)-2-[5-[7-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]triphenylen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 88359300
L-Histidine beta-naphthylamide
CID 688489
4-[(2S)-2-amino-3-[benzyl-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]-3-oxopropyl]-3,5-dimethylbenzamide
CID 71449607
methyl N-[(2S)-1-[(2S)-2-[5-[6-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-9-methylanthracen-2-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 127043456
N-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 930233
N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
CID 9813756
[1-(2-Aminomethyl-3H-imidazol-4-ylmethyl)-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-naphthalen-1-yl-methanone
CID 10811576

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one (CID 29085956) is (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one is CC(C)CN1C[C@H](c2ncc(-c3cccc4ccccc34)[nH]2)CC1=O.
What is the InChIKey of (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
The InChIKey is WKGONWRQSCQLMO-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(2)12-24-13-16(10-20(24)25)21-22-11-19(23-21)18-9-5-7-15-6-3-4-8-17(15)18/h3-9,11,14,16H,10,12-13H2,1-2H3,(H,22,23)/t16-/m1/s1.
What are the key properties of (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one?
(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 29085956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).