[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine

C14H20N4O — CID 116944982

IUPAC[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine
SMILESCc1nc2cc(C(N)C3(CN)COC3)ccc2n1C
InChIInChI=1S/C14H20N4O/c1-9-17-11-5-10(3-4-12(11)18(9)2)13(16)14(6-15)7-19-8-14/h3-5,13H,6-8,15-16H2,1-2H3
InChIKeyVBGDMOBZZFKZLW-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.86
Rot. Bonds3

About [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine (PubChem CID 116944982) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine
PubChem CID116944982
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine
SMILESCc1nc2cc(C(N)C3(CN)COC3)ccc2n1C
InChIInChI=1S/C14H20N4O/c1-9-17-11-5-10(3-4-12(11)18(9)2)13(16)14(6-15)7-19-8-14/h3-5,13H,6-8,15-16H2,1-2H3
InChIKeyVBGDMOBZZFKZLW-UHFFFAOYSA-N
XLogP0.86
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine (CID 116944982) is [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine is Cc1nc2cc(C(N)C3(CN)COC3)ccc2n1C.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine?
The InChIKey is VBGDMOBZZFKZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-17-11-5-10(3-4-12(11)18(9)2)13(16)14(6-15)7-19-8-14/h3-5,13H,6-8,15-16H2,1-2H3.
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine?
[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine has a molecular weight of 260.34 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine is sourced from PubChem (CID 116944982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).