[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine

C13H18N4O — CID 116944980

IUPAC[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2ccc(C(N)C3(CN)COC3)cc2[nH]1
InChIInChI=1S/C13H18N4O/c1-8-16-10-3-2-9(4-11(10)17-8)12(15)13(5-14)6-18-7-13/h2-4,12H,5-7,14-15H2,1H3,(H,16,17)
InChIKeyZUCIMJOTGJXLMS-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.85
Rot. Bonds3

About [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine

[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine (PubChem CID 116944980) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine.

Molecular Properties

Compound Name[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
PubChem CID116944980
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
SMILESCc1nc2ccc(C(N)C3(CN)COC3)cc2[nH]1
InChIInChI=1S/C13H18N4O/c1-8-16-10-3-2-9(4-11(10)17-8)12(15)13(5-14)6-18-7-13/h2-4,12H,5-7,14-15H2,1H3,(H,16,17)
InChIKeyZUCIMJOTGJXLMS-UHFFFAOYSA-N
XLogP0.85
TPSA89.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)oxetan-3-yl]-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116959618
[1-(methylaminomethyl)cyclopropyl]-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116943582
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclopropane-1-carbonitrile
CID 116942996
1-[amino-(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutane-1-carboxylic acid
CID 116944102
1-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]propan-2-amine
CID 116869870
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82491804
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
4-[3-(2-methyl-3H-benzimidazol-5-yl)oxetan-3-yl]butan-2-amine
CID 116870353
hydrazinyl-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116947494
3-amino-3-(2-methyl-3H-benzimidazol-5-yl)propane-1-thiol
CID 116831290
2,2,2-trifluoro-1-(2-methyl-3H-benzimidazol-5-yl)ethanamine
CID 116947203
[3-(aminomethyl)oxetan-3-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 116944912

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The IUPAC name of [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine (CID 116944980) is [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine.
What is the SMILES notation for [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The canonical SMILES for [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine is Cc1nc2ccc(C(N)C3(CN)COC3)cc2[nH]1.
What is the InChIKey of [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine?
The InChIKey is ZUCIMJOTGJXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-16-10-3-2-9(4-11(10)17-8)12(15)13(5-14)6-18-7-13/h2-4,12H,5-7,14-15H2,1H3,(H,16,17).
What are the key properties of [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine?
[3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine has a molecular weight of 246.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxetan-3-yl]-(2-methyl-3H-benzimidazol-5-yl)methanamine is sourced from PubChem (CID 116944980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).