2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine

C15H23N3 — CID 84632050

IUPAC2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCn1c(C(C)(C)N)nc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C15H23N3/c1-14(2,3)10-7-8-12-11(9-10)17-13(18(12)6)15(4,5)16/h7-9H,16H2,1-6H3
InChIKeyRBUQTKCNFJBVNN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.06
Rot. Bonds1

About 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine

2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine (PubChem CID 84632050) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
PubChem CID84632050
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCn1c(C(C)(C)N)nc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C15H23N3/c1-14(2,3)10-7-8-12-11(9-10)17-13(18(12)6)15(4,5)16/h7-9H,16H2,1-6H3
InChIKeyRBUQTKCNFJBVNN-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-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-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine (CID 84632050) is 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine is Cn1c(C(C)(C)N)nc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is RBUQTKCNFJBVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-14(2,3)10-7-8-12-11(9-10)17-13(18(12)6)15(4,5)16/h7-9H,16H2,1-6H3.
What are the key properties of 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine?
2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyl-1-methylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 84632050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).