6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole

C18H16FN3 — CID 59435439

IUPAC6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
SMILESFc1ccccc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C18H16FN3/c19-17-4-2-1-3-16(17)14-6-5-13-7-8-22(18(13)9-14)11-15-10-20-12-21-15/h1-6,9-10,12H,7-8,11H2,(H,20,21)
InChIKeyVPOLERCHDYEPOR-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.78
Rot. Bonds3

About 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole

6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole (PubChem CID 59435439) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole.

Molecular Properties

Compound Name6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
PubChem CID59435439
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
SMILESFc1ccccc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C18H16FN3/c19-17-4-2-1-3-16(17)14-6-5-13-7-8-22(18(13)9-14)11-15-10-20-12-21-15/h1-6,9-10,12H,7-8,11H2,(H,20,21)
InChIKeyVPOLERCHDYEPOR-UHFFFAOYSA-N
XLogP3.78
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]phenyl]methanesulfonamide
CID 59435406
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
1-(1H-imidazol-5-ylmethyl)-6-thiophen-2-yl-2,3-dihydroindole
CID 59435411
1-(1H-imidazol-5-ylmethyl)-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2,3-dihydroindole
CID 59435318
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
2-(1,3-dioxoisoindol-2-yl)-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]ethanesulfonamide
CID 59652804
1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole
CID 59435343
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
6-chloro-1-(1H-imidazol-5-ylmethyl)indole;1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole
CID 158964409
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
CID 59468844
1-(1H-imidazol-5-ylmethyl)-5-methoxy-2,3-dihydroindole
CID 24951527
benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
CID 59468824

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
The IUPAC name of 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole (CID 59435439) is 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole.
What is the SMILES notation for 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
The canonical SMILES for 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole is Fc1ccccc1-c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
The InChIKey is VPOLERCHDYEPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c19-17-4-2-1-3-16(17)14-6-5-13-7-8-22(18(13)9-14)11-15-10-20-12-21-15/h1-6,9-10,12H,7-8,11H2,(H,20,21).
What are the key properties of 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole?
6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole has a molecular weight of 293.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindole is sourced from PubChem (CID 59435439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).