6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

C20H20FN5O2S — CID 11281388

IUPAC6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)ncn3C)cc21
InChIInChI=1S/C20H20FN5O2S/c1-12(2)29(27,28)26-17-10-14(6-9-16(17)24-20(26)22)19-18(23-11-25(19)3)13-4-7-15(21)8-5-13/h4-12H,1-3H3,(H2,22,24)
InChIKeyNWOPZHDVTFLNFA-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.41
Rot. Bonds4

About 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine

6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (PubChem CID 11281388) has the molecular formula C20H20FN5O2S and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
PubChem CID11281388
Molecular FormulaC20H20FN5O2S
Molecular Weight413.48 g/mol
Exact Mass413.13
IUPAC Name6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
SMILESCC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)ncn3C)cc21
InChIInChI=1S/C20H20FN5O2S/c1-12(2)29(27,28)26-17-10-14(6-9-16(17)24-20(26)22)19-18(23-11-25(19)3)13-4-7-15(21)8-5-13/h4-12H,1-3H3,(H2,22,24)
InChIKeyNWOPZHDVTFLNFA-UHFFFAOYSA-N
XLogP3.41
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine 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 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine (CID 11281388) is 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)ncn3C)cc21.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
The InChIKey is NWOPZHDVTFLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2S/c1-12(2)29(27,28)26-17-10-14(6-9-16(17)24-20(26)22)19-18(23-11-25(19)3)13-4-7-15(21)8-5-13/h4-12H,1-3H3,(H2,22,24).
What are the key properties of 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine?
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine has a molecular weight of 413.48 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine is sourced from PubChem (CID 11281388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).