2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one

C20H18FN3O — CID 134536813

IUPAC2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccccc3F)C(=O)C3(C)CC=CC=C3C2=N1
InChIInChI=1S/C20H18FN3O/c1-20-11-7-6-9-13(20)16-17(23-19(22-16)24(2)3)15(18(20)25)12-8-4-5-10-14(12)21/h4-10H,11H2,1-3H3
InChIKeyUYGAUKIDDIQNSN-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.38
Rot. Bonds1

About 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one

2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one (PubChem CID 134536813) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one
PubChem CID134536813
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccccc3F)C(=O)C3(C)CC=CC=C3C2=N1
InChIInChI=1S/C20H18FN3O/c1-20-11-7-6-9-13(20)16-17(23-19(22-16)24(2)3)15(18(20)25)12-8-4-5-10-14(12)21/h4-10H,11H2,1-3H3
InChIKeyUYGAUKIDDIQNSN-UHFFFAOYSA-N
XLogP3.38
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one?
The IUPAC name of 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one (CID 134536813) is 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one.
What is the SMILES notation for 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one?
The canonical SMILES for 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one is CN(C)C1=NC2=C(c3ccccc3F)C(=O)C3(C)CC=CC=C3C2=N1.
What is the InChIKey of 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one?
The InChIKey is UYGAUKIDDIQNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-20-11-7-6-9-13(20)16-17(23-19(22-16)24(2)3)15(18(20)25)12-8-4-5-10-14(12)21/h4-10H,11H2,1-3H3.
What are the key properties of 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one?
2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one has a molecular weight of 335.38 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(2-fluorophenyl)-5a-methyl-6H-benzo[e]benzimidazol-5-one is sourced from PubChem (CID 134536813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).