2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

C13H19F2N3 — CID 114226818

IUPAC2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1c(C2CCC(F)(F)C2)nc2c1CCC(N)C2
InChIInChI=1S/C13H19F2N3/c1-18-11-3-2-9(16)6-10(11)17-12(18)8-4-5-13(14,15)7-8/h8-9H,2-7,16H2,1H3
InChIKeyVQVJLLPISCTJSG-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.14
Rot. Bonds1

About 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine

2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (PubChem CID 114226818) has the molecular formula C13H19F2N3 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
PubChem CID114226818
Molecular FormulaC13H19F2N3
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine
SMILESCn1c(C2CCC(F)(F)C2)nc2c1CCC(N)C2
InChIInChI=1S/C13H19F2N3/c1-18-11-3-2-9(16)6-10(11)17-12(18)8-4-5-13(14,15)7-8/h8-9H,2-7,16H2,1H3
InChIKeyVQVJLLPISCTJSG-UHFFFAOYSA-N
XLogP2.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-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 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine (CID 114226818) is 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is Cn1c(C2CCC(F)(F)C2)nc2c1CCC(N)C2.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
The InChIKey is VQVJLLPISCTJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3/c1-18-11-3-2-9(16)6-10(11)17-12(18)8-4-5-13(14,15)7-8/h8-9H,2-7,16H2,1H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine?
2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine has a molecular weight of 255.31 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-methyl-4,5,6,7-tetrahydrobenzimidazol-5-amine is sourced from PubChem (CID 114226818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).