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

C15H21N3O — CID 116872295

IUPACN-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
SMILESCNC(C)(C)C1(c2ccc3nc(C)[nH]c3c2)COC1
InChIInChI=1S/C15H21N3O/c1-10-17-12-6-5-11(7-13(12)18-10)15(8-19-9-15)14(2,3)16-4/h5-7,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyJJEXDLQFYAFWBZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.14
Rot. Bonds3

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

N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116872295) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
PubChem CID116872295
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
SMILESCNC(C)(C)C1(c2ccc3nc(C)[nH]c3c2)COC1
InChIInChI=1S/C15H21N3O/c1-10-17-12-6-5-11(7-13(12)18-10)15(8-19-9-15)14(2,3)16-4/h5-7,16H,8-9H2,1-4H3,(H,17,18)
InChIKeyJJEXDLQFYAFWBZ-UHFFFAOYSA-N
XLogP2.14
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869495
1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869870
2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid
CID 116872080
3-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanenitrile
CID 116873399
3-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propanoic acid
CID 116871956
4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine
CID 116870353
1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116959618
2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine
CID 115244542
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
3-(hydroxymethyl)-N-(2-methyl-3H-benzimidazol-5-yl)oxetane-3-carboxamide
CID 115185226
methyl 3-[(2-methyl-3H-benzimidazol-5-yl)methyl]oxetane-3-carboxylate
CID 116930258
[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116944980

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine (CID 116872295) is N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine is CNC(C)(C)C1(c2ccc3nc(C)[nH]c3c2)COC1.
What is the InChIKey of N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is JJEXDLQFYAFWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10-17-12-6-5-11(7-13(12)18-10)15(8-19-9-15)14(2,3)16-4/h5-7,16H,8-9H2,1-4H3,(H,17,18).
What are the key properties of N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine?
N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116872295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).