(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one

C16H18ClN3O — CID 31073934

IUPAC(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@@H](c2ncc(-c3ccc(Cl)cc3)[nH]2)CC1=O
InChIInChI=1S/C16H18ClN3O/c1-10(2)20-9-12(7-15(20)21)16-18-8-14(19-16)11-3-5-13(17)6-4-11/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyQNLMKFMCTCTEGI-LBPRGKRZSA-N
MW303.79 g/mol
LogP3.45
Rot. Bonds3

About (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one

(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 31073934) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
PubChem CID31073934
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1C[C@@H](c2ncc(-c3ccc(Cl)cc3)[nH]2)CC1=O
InChIInChI=1S/C16H18ClN3O/c1-10(2)20-9-12(7-15(20)21)16-18-8-14(19-16)11-3-5-13(17)6-4-11/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyQNLMKFMCTCTEGI-LBPRGKRZSA-N
XLogP3.45
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31045164
(4R)-1-propan-2-yl-4-(5-thiophen-3-yl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 31125812
(4S)-4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 31043406
1-propan-2-yl-4-[5-(3-propan-2-yloxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45242567
4-[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one
CID 45218761
(3R)-3-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
CID 56775856
4-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45204048
[(2R)-2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 95771955
4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 45185382
(4R)-1-(2-methylpropyl)-4-(5-naphthalen-1-yl-1H-imidazol-2-yl)pyrrolidin-2-one
CID 29085956
2-cyclopropyl-5-(4-fluorophenyl)-1H-imidazole
CID 90241425
2-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one (CID 31073934) is (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1C[C@@H](c2ncc(-c3ccc(Cl)cc3)[nH]2)CC1=O.
What is the InChIKey of (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is QNLMKFMCTCTEGI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-10(2)20-9-12(7-15(20)21)16-18-8-14(19-16)11-3-5-13(17)6-4-11/h3-6,8,10,12H,7,9H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one?
(4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 303.79 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[5-(4-chlorophenyl)-1H-imidazol-2-yl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 31073934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).