Skip to content

FTase Inhibitor III

C24H34N6O — CID 156595851

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[4-[[1-(2,2-dimethylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1
InChIInChI=1S/C24H34N6O/c1-17-22(18(2)27(6)26-17)23(31)29-13-11-28(12-14-29)15-21-25-19-9-7-8-10-20(19)30(21)16-24(3,4)5/h7-10H,11-16H2,1-6H3
InChIKeyYHWDDYZFKUHHMW-UHFFFAOYSA-N
MW422.58 g/mol
LogP3.39
Rot. Bonds4

About FTase Inhibitor III

FTase Inhibitor III (PubChem CID 156595851) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is [4-[[1-(2,2-dimethylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound NameFTase Inhibitor III
PubChem CID156595851
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name[4-[[1-(2,2-dimethylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1
InChIInChI=1S/C24H34N6O/c1-17-22(18(2)27(6)26-17)23(31)29-13-11-28(12-14-29)15-21-25-19-9-7-8-10-20(19)30(21)16-24(3,4)5/h7-10H,11-16H2,1-6H3
InChIKeyYHWDDYZFKUHHMW-UHFFFAOYSA-N
XLogP3.39
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze FTase Inhibitor III 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 FTase Inhibitor III?
The IUPAC name of FTase Inhibitor III (CID 156595851) is [4-[[1-(2,2-dimethylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for FTase Inhibitor III?
The canonical SMILES for FTase Inhibitor III is Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2nc3ccccc3n2CC(C)(C)C)CC1.
What is the InChIKey of FTase Inhibitor III?
The InChIKey is YHWDDYZFKUHHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-17-22(18(2)27(6)26-17)23(31)29-13-11-28(12-14-29)15-21-25-19-9-7-8-10-20(19)30(21)16-24(3,4)5/h7-10H,11-16H2,1-6H3.
What are the key properties of FTase Inhibitor III?
FTase Inhibitor III has a molecular weight of 422.58 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for FTase Inhibitor III is sourced from PubChem (CID 156595851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.