5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole

C10H15FN2 — CID 147353320

IUPAC5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole
SMILESCC(C)C1=CC2NCNC2C=C1F
InChIInChI=1S/C10H15FN2/c1-6(2)7-3-9-10(4-8(7)11)13-5-12-9/h3-4,6,9-10,12-13H,5H2,1-2H3
InChIKeyDFVFDTMDLSHAGC-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.32
Rot. Bonds1

About 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole

5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole (PubChem CID 147353320) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole
PubChem CID147353320
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole
SMILESCC(C)C1=CC2NCNC2C=C1F
InChIInChI=1S/C10H15FN2/c1-6(2)7-3-9-10(4-8(7)11)13-5-12-9/h3-4,6,9-10,12-13H,5H2,1-2H3
InChIKeyDFVFDTMDLSHAGC-UHFFFAOYSA-N
XLogP1.32
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-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 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole?
The IUPAC name of 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole (CID 147353320) is 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole?
The canonical SMILES for 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole is CC(C)C1=CC2NCNC2C=C1F.
What is the InChIKey of 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole?
The InChIKey is DFVFDTMDLSHAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-6(2)7-3-9-10(4-8(7)11)13-5-12-9/h3-4,6,9-10,12-13H,5H2,1-2H3.
What are the key properties of 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole?
5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole has a molecular weight of 182.24 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propan-2-yl-2,3,3a,7a-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 147353320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).