2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine

C15H21N3O — CID 116869497

IUPAC2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine
SMILESCc1nc2cc(C3(C(C)(C)N)COC3)ccc2n1C
InChIInChI=1S/C15H21N3O/c1-10-17-12-7-11(5-6-13(12)18(10)4)15(8-19-9-15)14(2,3)16/h5-7H,8-9,16H2,1-4H3
InChIKeyXHGXYCYRWGNSMP-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.89
Rot. Bonds2

About 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine

2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116869497) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine
PubChem CID116869497
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine
SMILESCc1nc2cc(C3(C(C)(C)N)COC3)ccc2n1C
InChIInChI=1S/C15H21N3O/c1-10-17-12-7-11(5-6-13(12)18(10)4)15(8-19-9-15)14(2,3)16/h5-7H,8-9,16H2,1-4H3
InChIKeyXHGXYCYRWGNSMP-UHFFFAOYSA-N
XLogP1.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine (CID 116869497) is 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine is Cc1nc2cc(C3(C(C)(C)N)COC3)ccc2n1C.
What is the InChIKey of 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is XHGXYCYRWGNSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-17-12-7-11(5-6-13(12)18(10)4)15(8-19-9-15)14(2,3)16/h5-7H,8-9,16H2,1-4H3.
What are the key properties of 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,2-dimethylbenzimidazol-5-yl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116869497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).