1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone

C18H21N3O2 — CID 58720132

IUPAC1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone
SMILESCCCc1cn(C(C)=O)c(C2Cc3ccccc3N2C(C)=O)n1
InChIInChI=1S/C18H21N3O2/c1-4-7-15-11-20(12(2)22)18(19-15)17-10-14-8-5-6-9-16(14)21(17)13(3)23/h5-6,8-9,11,17H,4,7,10H2,1-3H3
InChIKeyFRKYNXZDHJBACQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.15
Rot. Bonds3

About 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone

1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone (PubChem CID 58720132) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone
PubChem CID58720132
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone
SMILESCCCc1cn(C(C)=O)c(C2Cc3ccccc3N2C(C)=O)n1
InChIInChI=1S/C18H21N3O2/c1-4-7-15-11-20(12(2)22)18(19-15)17-10-14-8-5-6-9-16(14)21(17)13(3)23/h5-6,8-9,11,17H,4,7,10H2,1-3H3
InChIKeyFRKYNXZDHJBACQ-UHFFFAOYSA-N
XLogP3.15
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S,3R)-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325722
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-[(2S)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325971
1-[(2S,3R)-2,3-dimethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325809
1-[2-(2-hydroxy-5-methylphenyl)-2,3-dihydroindol-1-yl]ethanone
CID 132532210
1-[(2S,3R)-2-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139325717
1-[(2S)-2-(4-propylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 92710234
(2S)-1-acetyl-N-cyclopropyl-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 136580381
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 154781578
(2R)-1-acetyl-N-methyl-2,3-dihydroindole-2-carboxamide
CID 40805370
1-[2-(4-ethylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 20954290
tert-butyl N-[2-[2-(4-acetyl-5-propyl-1H-imidazol-2-yl)-2,3-dihydroindol-1-yl]-2-oxoethyl]carbamate
CID 58720172

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone?
The IUPAC name of 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone (CID 58720132) is 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone is CCCc1cn(C(C)=O)c(C2Cc3ccccc3N2C(C)=O)n1.
What is the InChIKey of 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone?
The InChIKey is FRKYNXZDHJBACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-4-7-15-11-20(12(2)22)18(19-15)17-10-14-8-5-6-9-16(14)21(17)13(3)23/h5-6,8-9,11,17H,4,7,10H2,1-3H3.
What are the key properties of 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone?
1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone has a molecular weight of 311.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-acetyl-2,3-dihydroindol-2-yl)-4-propylimidazol-1-yl]ethanone is sourced from PubChem (CID 58720132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).