1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

C19H25N3O2 — CID 45242567

IUPAC1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)Oc1cccc(-c2cnc(C3CC(=O)N(C(C)C)C3)[nH]2)c1
InChIInChI=1S/C19H25N3O2/c1-12(2)22-11-15(9-18(22)23)19-20-10-17(21-19)14-6-5-7-16(8-14)24-13(3)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,20,21)
InChIKeyOSEXTGJBKJMVAM-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.59
Rot. Bonds5

About 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one

1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 45242567) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID45242567
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCC(C)Oc1cccc(-c2cnc(C3CC(=O)N(C(C)C)C3)[nH]2)c1
InChIInChI=1S/C19H25N3O2/c1-12(2)22-11-15(9-18(22)23)19-20-10-17(21-19)14-6-5-7-16(8-14)24-13(3)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,20,21)
InChIKeyOSEXTGJBKJMVAM-UHFFFAOYSA-N
XLogP3.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(2S)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-5-methyl-5,11-dihydrochromeno[4,3-c]chromen-8-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 130296695
4-(3-methoxyphenyl)-2-phenyl-1H-imidazole
CID 18673160
N-Butyl-N'-[2-({2-hydroxy-3-[4-(5-methyl-1H-imidazol-2-yl)phenoxy]propyl}amino)ethyl]urea
CID 13621725
12-Benzyl-4-(3-methoxyphenyl)-3,6,8,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4-trien-7-one
CID 11036467
(2S)-N-(3-ethoxypropyl)-4-methyl-2-(6-propyl-2-(4-(3-(trifluoromethoxy)phenyl)-1H-imidazol-1-yl)pyrimidin-4-ylamino)pentanamide
CID 44410911
(3Z)-5-Isopropoxy-3-((2-methyl-1H-imidazol-5-yl)methylene)indolin-2-one
CID 71154928
2-(5H-imidazo[5,1-a]isoindol-5-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 141501925
(2S)-2-amino-N-[4-(benzyloxy)phenyl]-3-(1H-imidazol-5-yl)propanamide
CID 24901598
ethyl 4-[3-[4-(1H-imidazol-5-yl)phenoxy]propyl]piperazine-1-carboxylate
CID 44335428
3-[5-(3-Methoxy-phenyl)-1H-imidazol-2-yl]-pyridine
CID 44345802
(S)-2-Amino-1-[(S)-5-methoxy-2-(5-propyl-1H-imidazol-2-yl)-2,3-dihydro-indol-1-yl]-propan-1-one
CID 44359186
2-Amino-1-[(S)-5-methoxy-2-(5-propyl-1H-imidazol-2-yl)-2,3-dihydro-indol-1-yl]-ethanone
CID 44359324

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 45242567) is 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is CC(C)Oc1cccc(-c2cnc(C3CC(=O)N(C(C)C)C3)[nH]2)c1.
What is the InChIKey of 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is OSEXTGJBKJMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)22-11-15(9-18(22)23)19-20-10-17(21-19)14-6-5-7-16(8-14)24-13(3)4/h5-8,10,12-13,15H,9,11H2,1-4H3,(H,20,21).
What are the key properties of 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one?
1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 45242567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).