2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine

C14H19N3O — CID 116869495

IUPAC2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
SMILESCc1nc2ccc(C3(C(C)(C)N)COC3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-9-16-11-5-4-10(6-12(11)17-9)14(7-18-8-14)13(2,3)15/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyHINAVNNJQKMCEQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.88
Rot. Bonds2

About 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine

2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116869495) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
PubChem CID116869495
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
SMILESCc1nc2ccc(C3(C(C)(C)N)COC3)cc2[nH]1
InChIInChI=1S/C14H19N3O/c1-9-16-11-5-4-10(6-12(11)17-9)14(7-18-8-14)13(2,3)15/h4-6H,7-8,15H2,1-3H3,(H,16,17)
InChIKeyHINAVNNJQKMCEQ-UHFFFAOYSA-N
XLogP1.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-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-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine (CID 116869495) is 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine is Cc1nc2ccc(C3(C(C)(C)N)COC3)cc2[nH]1.
What is the InChIKey of 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is HINAVNNJQKMCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-16-11-5-4-10(6-12(11)17-9)14(7-18-8-14)13(2,3)15/h4-6H,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).