1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine

C12H15N3O — CID 116869295

IUPAC1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C12H15N3O/c1-13-5-12(6-16-7-12)9-2-3-10-11(4-9)15-8-14-10/h2-4,8,13H,5-7H2,1H3,(H,14,15)
InChIKeyKGIHEYGOSYFMHU-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.05
Rot. Bonds3

About 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine

1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine (PubChem CID 116869295) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
PubChem CID116869295
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C12H15N3O/c1-13-5-12(6-16-7-12)9-2-3-10-11(4-9)15-8-14-10/h2-4,8,13H,5-7H2,1H3,(H,14,15)
InChIKeyKGIHEYGOSYFMHU-UHFFFAOYSA-N
XLogP1.05
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870087
3-(3H-benzimidazol-5-yl)oxetan-3-amine
CID 116872687
1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869292
6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
CID 116875889
N-methyl-1-[3-(1-methylbenzimidazol-5-yl)oxetan-3-yl]methanamine
CID 116869297
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
CID 116874515
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
1-(3H-benzimidazol-5-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246193
methyl 1-(3H-benzimidazol-5-yl)cyclopropane-1-carboxylate
CID 116964016
N'-(3H-benzimidazol-5-ylmethyl)-N-methylmethanediamine
CID 115226891
6-(2-methylpiperazin-2-yl)-1H-benzimidazole
CID 116856328

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine (CID 116869295) is 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine is CNCC1(c2ccc3nc[nH]c3c2)COC1.
What is the InChIKey of 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine?
The InChIKey is KGIHEYGOSYFMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-13-5-12(6-16-7-12)9-2-3-10-11(4-9)15-8-14-10/h2-4,8,13H,5-7H2,1H3,(H,14,15).
What are the key properties of 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine?
1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine has a molecular weight of 217.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116869295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).