1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole

C15H21N3 — CID 13473015

IUPAC1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
SMILESCCCCN1c2ccccc2CC1C1=NCCN1
InChIInChI=1S/C15H21N3/c1-2-3-10-18-13-7-5-4-6-12(13)11-14(18)15-16-8-9-17-15/h4-7,14H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyFWTMUMRNEWYLOY-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.22
Rot. Bonds4

About 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole

1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole (PubChem CID 13473015) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
PubChem CID13473015
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
SMILESCCCCN1c2ccccc2CC1C1=NCCN1
InChIInChI=1S/C15H21N3/c1-2-3-10-18-13-7-5-4-6-12(13)11-14(18)15-16-8-9-17-15/h4-7,14H,2-3,8-11H2,1H3,(H,16,17)
InChIKeyFWTMUMRNEWYLOY-UHFFFAOYSA-N
XLogP2.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole (CID 13473015) is 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole is CCCCN1c2ccccc2CC1C1=NCCN1.
What is the InChIKey of 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole?
The InChIKey is FWTMUMRNEWYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-3-10-18-13-7-5-4-6-12(13)11-14(18)15-16-8-9-17-15/h4-7,14H,2-3,8-11H2,1H3,(H,16,17).
What are the key properties of 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole?
1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole has a molecular weight of 243.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 13473015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).