7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole

C24H19FN4S — CID 118569290

IUPAC7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole
SMILESCc1ncc(-c2ccc(-c3cc4ccc5c(c4s3)CCc3[nH]c(C)nc3-5)cc2F)[nH]1
InChIInChI=1S/C24H19FN4S/c1-12-26-11-21(27-12)18-6-3-14(9-19(18)25)22-10-15-4-5-16-17(24(15)30-22)7-8-20-23(16)29-13(2)28-20/h3-6,9-11H,7-8H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyMHTKVSLKOFVWLL-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.20
Rot. Bonds2

About 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole

7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole (PubChem CID 118569290) has the molecular formula C24H19FN4S and a molecular weight of 414.51 g/mol. Its IUPAC name is 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole.

Molecular Properties

Compound Name7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole
PubChem CID118569290
Molecular FormulaC24H19FN4S
Molecular Weight414.51 g/mol
Exact Mass414.13
IUPAC Name7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole
SMILESCc1ncc(-c2ccc(-c3cc4ccc5c(c4s3)CCc3[nH]c(C)nc3-5)cc2F)[nH]1
InChIInChI=1S/C24H19FN4S/c1-12-26-11-21(27-12)18-6-3-14(9-19(18)25)22-10-15-4-5-16-17(24(15)30-22)7-8-20-23(16)29-13(2)28-20/h3-6,9-11H,7-8H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyMHTKVSLKOFVWLL-UHFFFAOYSA-N
XLogP6.20
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole?
The IUPAC name of 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole (CID 118569290) is 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole.
What is the SMILES notation for 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole?
The canonical SMILES for 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole is Cc1ncc(-c2ccc(-c3cc4ccc5c(c4s3)CCc3[nH]c(C)nc3-5)cc2F)[nH]1.
What is the InChIKey of 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole?
The InChIKey is MHTKVSLKOFVWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4S/c1-12-26-11-21(27-12)18-6-3-14(9-19(18)25)22-10-15-4-5-16-17(24(15)30-22)7-8-20-23(16)29-13(2)28-20/h3-6,9-11H,7-8H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole?
7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole has a molecular weight of 414.51 g/mol, XLogP of 6.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(2-methyl-1H-imidazol-5-yl)phenyl]-2-methyl-9,10-dihydro-1H-[1]benzothiolo[6,7-e]benzimidazole is sourced from PubChem (CID 118569290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).