2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine

C11H18FN3 — CID 165472027

IUPAC2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine
SMILESCn1c(C(C)(C)F)nc2c1C(N)CCC2
InChIInChI=1S/C11H18FN3/c1-11(2,12)10-14-8-6-4-5-7(13)9(8)15(10)3/h7H,4-6,13H2,1-3H3
InChIKeyAEWNJKXAXFRAPN-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.96
Rot. Bonds1

About 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine

2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine (PubChem CID 165472027) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine
PubChem CID165472027
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine
SMILESCn1c(C(C)(C)F)nc2c1C(N)CCC2
InChIInChI=1S/C11H18FN3/c1-11(2,12)10-14-8-6-4-5-7(13)9(8)15(10)3/h7H,4-6,13H2,1-3H3
InChIKeyAEWNJKXAXFRAPN-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-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-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine?
The IUPAC name of 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine (CID 165472027) is 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine is Cn1c(C(C)(C)F)nc2c1C(N)CCC2.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine?
The InChIKey is AEWNJKXAXFRAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-11(2,12)10-14-8-6-4-5-7(13)9(8)15(10)3/h7H,4-6,13H2,1-3H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine?
2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine has a molecular weight of 211.28 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-3-methyl-4,5,6,7-tetrahydrobenzimidazol-4-amine is sourced from PubChem (CID 165472027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).