2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine

C12H21N3 — CID 83434532

IUPAC2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine
SMILESCC(C)n1cnc2c1CCCC2CCN
InChIInChI=1S/C12H21N3/c1-9(2)15-8-14-12-10(6-7-13)4-3-5-11(12)15/h8-10H,3-7,13H2,1-2H3
InChIKeyOFJFAGAKTXJUFG-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.23
Rot. Bonds3

About 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine

2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine (PubChem CID 83434532) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine
PubChem CID83434532
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine
SMILESCC(C)n1cnc2c1CCCC2CCN
InChIInChI=1S/C12H21N3/c1-9(2)15-8-14-12-10(6-7-13)4-3-5-11(12)15/h8-10H,3-7,13H2,1-2H3
InChIKeyOFJFAGAKTXJUFG-UHFFFAOYSA-N
XLogP2.23
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine 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-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine?
The IUPAC name of 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine (CID 83434532) is 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine.
What is the SMILES notation for 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine?
The canonical SMILES for 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine is CC(C)n1cnc2c1CCCC2CCN.
What is the InChIKey of 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine?
The InChIKey is OFJFAGAKTXJUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)15-8-14-12-10(6-7-13)4-3-5-11(12)15/h8-10H,3-7,13H2,1-2H3.
What are the key properties of 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine?
2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazol-4-yl)ethanamine is sourced from PubChem (CID 83434532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).