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

C12H14FN3 — CID 14064735

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole
SMILESCN1c2cccc(F)c2CC1C1=NCCN1
InChIInChI=1S/C12H14FN3/c1-16-10-4-2-3-9(13)8(10)7-11(16)12-14-5-6-15-12/h2-4,11H,5-7H2,1H3,(H,14,15)
InChIKeyLYCSDBYMKCOPNV-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.19
Rot. Bonds1

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

2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole (PubChem CID 14064735) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole
PubChem CID14064735
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole
SMILESCN1c2cccc(F)c2CC1C1=NCCN1
InChIInChI=1S/C12H14FN3/c1-16-10-4-2-3-9(13)8(10)7-11(16)12-14-5-6-15-12/h2-4,11H,5-7H2,1H3,(H,14,15)
InChIKeyLYCSDBYMKCOPNV-UHFFFAOYSA-N
XLogP1.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole (CID 14064735) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole is CN1c2cccc(F)c2CC1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole?
The InChIKey is LYCSDBYMKCOPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-16-10-4-2-3-9(13)8(10)7-11(16)12-14-5-6-15-12/h2-4,11H,5-7H2,1H3,(H,14,15).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole?
2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole has a molecular weight of 219.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-4-fluoro-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 14064735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).