1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

C19H22N4O — CID 124977730

IUPAC1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCc1cn(C)c([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1
InChIInChI=1S/C19H22N4O/c1-13-11-22(2)19(21-13)14-7-8-23(12-14)18(24)9-15-10-20-17-6-4-3-5-16(15)17/h3-6,10-11,14,20H,7-9,12H2,1-2H3/t14-/m0/s1
InChIKeyLORVPBZTIYXSBP-AWEZNQCLSA-N
MW322.41 g/mol
LogP2.77
Rot. Bonds3

About 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 124977730) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID124977730
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCc1cn(C)c([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1
InChIInChI=1S/C19H22N4O/c1-13-11-22(2)19(21-13)14-7-8-23(12-14)18(24)9-15-10-20-17-6-4-3-5-16(15)17/h3-6,10-11,14,20H,7-9,12H2,1-2H3/t14-/m0/s1
InChIKeyLORVPBZTIYXSBP-AWEZNQCLSA-N
XLogP2.77
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-5-[(3S)-1-[2-(1H-indol-3-yl)acetyl]piperidin-3-yl]-2-methyl-1,2,4-triazol-3-one
CID 95197415
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-naphthalen-2-ylethanone
CID 125013817
1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 129355491
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 124974580
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 75479286
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 124977730) is 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone is Cc1cn(C)c([C@H]2CCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1.
What is the InChIKey of 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is LORVPBZTIYXSBP-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-11-22(2)19(21-13)14-7-8-23(12-14)18(24)9-15-10-20-17-6-4-3-5-16(15)17/h3-6,10-11,14,20H,7-9,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 322.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 124977730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).