1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone

C21H23N3O — CID 125013817

IUPAC1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
SMILESCc1cn(C)c([C@@H]2CCN(C(=O)Cc3ccc4ccccc4c3)C2)n1
InChIInChI=1S/C21H23N3O/c1-15-13-23(2)21(22-15)19-9-10-24(14-19)20(25)12-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,13,19H,9-10,12,14H2,1-2H3/t19-/m1/s1
InChIKeyWHUROUPIPHJPMN-LJQANCHMSA-N
MW333.44 g/mol
LogP3.44
Rot. Bonds3

About 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone

1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone (PubChem CID 125013817) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
PubChem CID125013817
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
SMILESCc1cn(C)c([C@@H]2CCN(C(=O)Cc3ccc4ccccc4c3)C2)n1
InChIInChI=1S/C21H23N3O/c1-15-13-23(2)21(22-15)19-9-10-24(14-19)20(25)12-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,13,19H,9-10,12,14H2,1-2H3/t19-/m1/s1
InChIKeyWHUROUPIPHJPMN-LJQANCHMSA-N
XLogP3.44
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124977730
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124974580
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(3-fluorophenoxy)ethanone
CID 125009382
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125025642
1-(3-hydroxypiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 43391540
1-(4-chloro-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 114682890
3-[2-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124951963
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124959107
1-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-naphthalen-2-ylethanone
CID 110104199

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone?
The IUPAC name of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone (CID 125013817) is 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone is Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3ccc4ccccc4c3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone?
The InChIKey is WHUROUPIPHJPMN-LJQANCHMSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-13-23(2)21(22-15)19-9-10-24(14-19)20(25)12-16-7-8-17-5-3-4-6-18(17)11-16/h3-8,11,13,19H,9-10,12,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone?
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone has a molecular weight of 333.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone is sourced from PubChem (CID 125013817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).