4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole

C19H17FN2 — CID 166804198

IUPAC4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole
SMILESCc1cccc(C2=C3NCN=C3c3ccccc3C2C)c1F
InChIInChI=1S/C19H17FN2/c1-11-6-5-9-15(17(11)20)16-12(2)13-7-3-4-8-14(13)18-19(16)22-10-21-18/h3-9,12,22H,10H2,1-2H3
InChIKeySIXKOQWAYWBPSF-UHFFFAOYSA-N
MW292.36 g/mol
LogP4.01
Rot. Bonds1

About 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole

4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole (PubChem CID 166804198) has the molecular formula C19H17FN2 and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole.

Molecular Properties

Compound Name4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole
PubChem CID166804198
Molecular FormulaC19H17FN2
Molecular Weight292.36 g/mol
Exact Mass292.14
IUPAC Name4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole
SMILESCc1cccc(C2=C3NCN=C3c3ccccc3C2C)c1F
InChIInChI=1S/C19H17FN2/c1-11-6-5-9-15(17(11)20)16-12(2)13-7-3-4-8-14(13)18-19(16)22-10-21-18/h3-9,12,22H,10H2,1-2H3
InChIKeySIXKOQWAYWBPSF-UHFFFAOYSA-N
XLogP4.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole?
The IUPAC name of 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole (CID 166804198) is 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole.
What is the SMILES notation for 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole?
The canonical SMILES for 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole is Cc1cccc(C2=C3NCN=C3c3ccccc3C2C)c1F.
What is the InChIKey of 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole?
The InChIKey is SIXKOQWAYWBPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2/c1-11-6-5-9-15(17(11)20)16-12(2)13-7-3-4-8-14(13)18-19(16)22-10-21-18/h3-9,12,22H,10H2,1-2H3.
What are the key properties of 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole?
4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole has a molecular weight of 292.36 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-methylphenyl)-5-methyl-3,5-dihydro-2H-benzo[e]benzimidazole is sourced from PubChem (CID 166804198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).