3-(3H-benzimidazol-5-yl)oxetan-3-amine

C10H11N3O — CID 116872687

IUPAC3-(3H-benzimidazol-5-yl)oxetan-3-amine
SMILESNC1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C10H11N3O/c11-10(4-14-5-10)7-1-2-8-9(3-7)13-6-12-8/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyPMLQHCHCEAYKRL-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.75
Rot. Bonds1

About 3-(3H-benzimidazol-5-yl)oxetan-3-amine

3-(3H-benzimidazol-5-yl)oxetan-3-amine (PubChem CID 116872687) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3-(3H-benzimidazol-5-yl)oxetan-3-amine.

Molecular Properties

Compound Name3-(3H-benzimidazol-5-yl)oxetan-3-amine
PubChem CID116872687
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3-(3H-benzimidazol-5-yl)oxetan-3-amine
SMILESNC1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C10H11N3O/c11-10(4-14-5-10)7-1-2-8-9(3-7)13-6-12-8/h1-3,6H,4-5,11H2,(H,12,13)
InChIKeyPMLQHCHCEAYKRL-UHFFFAOYSA-N
XLogP0.75
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
CID 116875889
3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870087
2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
CID 116874515
1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869295
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
1-(1H-pyrrolo[3,2-b]pyridin-6-yl)cyclopropan-1-amine
CID 55297717
6-(2-methylpiperazin-2-yl)-1H-benzimidazole
CID 116856328
3-[amino(3H-benzimidazol-5-yl)methyl]oxetane-3-carbonitrile
CID 116944526
1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83711577
3-(3H-benzimidazol-5-ylcarbamoyl)oxetane-3-carboxylic acid
CID 115184912
methyl 1-(3H-benzimidazol-5-yl)cyclopropane-1-carboxylate
CID 116964016

Frequently Asked Questions

What is the IUPAC name of 3-(3H-benzimidazol-5-yl)oxetan-3-amine?
The IUPAC name of 3-(3H-benzimidazol-5-yl)oxetan-3-amine (CID 116872687) is 3-(3H-benzimidazol-5-yl)oxetan-3-amine.
What is the SMILES notation for 3-(3H-benzimidazol-5-yl)oxetan-3-amine?
The canonical SMILES for 3-(3H-benzimidazol-5-yl)oxetan-3-amine is NC1(c2ccc3nc[nH]c3c2)COC1.
What is the InChIKey of 3-(3H-benzimidazol-5-yl)oxetan-3-amine?
The InChIKey is PMLQHCHCEAYKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10(4-14-5-10)7-1-2-8-9(3-7)13-6-12-8/h1-3,6H,4-5,11H2,(H,12,13).
What are the key properties of 3-(3H-benzimidazol-5-yl)oxetan-3-amine?
3-(3H-benzimidazol-5-yl)oxetan-3-amine has a molecular weight of 189.22 g/mol, XLogP of 0.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-benzimidazol-5-yl)oxetan-3-amine is sourced from PubChem (CID 116872687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).