[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

C18H21N3O — CID 110104394

IUPAC[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1cnc(C2CCCN2C(=O)C2(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C18H21N3O/c1-13-12-19-16(20-13)15-8-5-11-21(15)17(22)18(9-10-18)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,19,20)
InChIKeyXIQDAFWEZWSCIT-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.11
Rot. Bonds3

About [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone

[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (PubChem CID 110104394) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
PubChem CID110104394
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
SMILESCc1cnc(C2CCCN2C(=O)C2(c3ccccc3)CC2)[nH]1
InChIInChI=1S/C18H21N3O/c1-13-12-19-16(20-13)15-8-5-11-21(15)17(22)18(9-10-18)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,19,20)
InChIKeyXIQDAFWEZWSCIT-UHFFFAOYSA-N
XLogP3.11
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124961992
(1-phenylcyclopropyl)-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methanone
CID 87052044
(2R)-2-amino-2-phenyl-1-[(2S)-2-[5-[4-[2-[4-[2-[(2S)-1-(1-phenylcyclopropanecarbonyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]ethynyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 70877726
4-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 73439663
[(2S)-2-[6-[(dimethylamino)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124952766
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124949823
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 124946755
[(2S)-2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 124998428
[2-[2-[(dimethylamino)methyl]-4-pyridinyl]pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110107736
[(2S)-2-[6-[(5R)-1-(4-tert-butylphenyl)-5-[2-[(2S)-1-(1-phenylcyclopentanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 90816776
(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 175507470

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The IUPAC name of [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone (CID 110104394) is [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The canonical SMILES for [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is Cc1cnc(C2CCCN2C(=O)C2(c3ccccc3)CC2)[nH]1.
What is the InChIKey of [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
The InChIKey is XIQDAFWEZWSCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-12-19-16(20-13)15-8-5-11-21(15)17(22)18(9-10-18)14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11H2,1H3,(H,19,20).
What are the key properties of [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone?
[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone has a molecular weight of 295.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 110104394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).