2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol

C12H15N3O2 — CID 116874515

IUPAC2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
SMILESNCC(O)C1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C12H15N3O2/c13-4-11(16)12(5-17-6-12)8-1-2-9-10(3-8)15-7-14-9/h1-3,7,11,16H,4-6,13H2,(H,14,15)
InChIKeyMXUDTWSTGKLJBN-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.15
Rot. Bonds3

About 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol

2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol (PubChem CID 116874515) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
PubChem CID116874515
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
SMILESNCC(O)C1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C12H15N3O2/c13-4-11(16)12(5-17-6-12)8-1-2-9-10(3-8)15-7-14-9/h1-3,7,11,16H,4-6,13H2,(H,14,15)
InChIKeyMXUDTWSTGKLJBN-UHFFFAOYSA-N
XLogP0.15
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3H-benzimidazol-5-yl)oxetan-3-amine
CID 116872687
3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
CID 116870087
6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
CID 116875889
1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869295
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116874484
2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
CID 116874468
(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol
CID 54502108
3-[amino(3H-benzimidazol-5-yl)methyl]oxetane-3-carbonitrile
CID 116944526
3-(3H-benzimidazol-5-ylcarbamoyl)oxetane-3-carboxylic acid
CID 115184912
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
CID 116921281

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol (CID 116874515) is 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol is NCC(O)C1(c2ccc3nc[nH]c3c2)COC1.
What is the InChIKey of 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol?
The InChIKey is MXUDTWSTGKLJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-4-11(16)12(5-17-6-12)8-1-2-9-10(3-8)15-7-14-9/h1-3,7,11,16H,4-6,13H2,(H,14,15).
What are the key properties of 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol?
2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol has a molecular weight of 233.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol is sourced from PubChem (CID 116874515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).