(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone

C18H23N3O — CID 126441051

IUPAC(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
SMILESCc1ncn(C)c1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H23N3O/c1-13-16(20(4)12-19-13)17(22)21-10-15(18(2,3)11-21)14-8-6-5-7-9-14/h5-9,12,15H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyWCRVGPBLVQGDQZ-OAHLLOKOSA-N
MW297.40 g/mol
LogP2.99
Rot. Bonds2

About (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone

(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone (PubChem CID 126441051) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
PubChem CID126441051
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
SMILESCc1ncn(C)c1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H23N3O/c1-13-16(20(4)12-19-13)17(22)21-10-15(18(2,3)11-21)14-8-6-5-7-9-14/h5-9,12,15H,10-11H2,1-4H3/t15-/m1/s1
InChIKeyWCRVGPBLVQGDQZ-OAHLLOKOSA-N
XLogP2.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 126440527
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
(2,4-dimethyl-1,3-oxazol-5-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 124588885
(3,5-dimethylimidazol-4-yl)-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 125164514
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 124570113
[3-(difluoromethyl)-1-methylpyrazol-5-yl]-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)methanone
CID 119067641
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
CID 126429901
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 119067365
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 124588881
(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-(2-ethylpyrazol-3-yl)methanone
CID 119059902
(2-amino-1,3-thiazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone
CID 126451698
[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124588883

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone?
The IUPAC name of (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone (CID 126441051) is (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone is Cc1ncn(C)c1C(=O)N1C[C@H](c2ccccc2)C(C)(C)C1.
What is the InChIKey of (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone?
The InChIKey is WCRVGPBLVQGDQZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-16(20(4)12-19-13)17(22)21-10-15(18(2,3)11-21)14-8-6-5-7-9-14/h5-9,12,15H,10-11H2,1-4H3/t15-/m1/s1.
What are the key properties of (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone?
(3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone has a molecular weight of 297.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylimidazol-4-yl)-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 126441051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).