3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine

C13H17N3O — CID 116870087

IUPAC3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
SMILESNCCCC1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C13H17N3O/c14-5-1-4-13(7-17-8-13)10-2-3-11-12(6-10)16-9-15-11/h2-3,6,9H,1,4-5,7-8,14H2,(H,15,16)
InChIKeyHHBSGVPFUDBMBW-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.57
Rot. Bonds4

About 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine

3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine (PubChem CID 116870087) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
PubChem CID116870087
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine
SMILESNCCCC1(c2ccc3nc[nH]c3c2)COC1
InChIInChI=1S/C13H17N3O/c14-5-1-4-13(7-17-8-13)10-2-3-11-12(6-10)16-9-15-11/h2-3,6,9H,1,4-5,7-8,14H2,(H,15,16)
InChIKeyHHBSGVPFUDBMBW-UHFFFAOYSA-N
XLogP1.57
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869295
3-(3H-benzimidazol-5-yl)oxetan-3-amine
CID 116872687
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine
CID 116870084
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
CID 116874515
6-[3-(trifluoromethyl)oxetan-3-yl]-1H-benzimidazole
CID 116875889
3-[3-(1H-pyrrol-3-yl)oxetan-3-yl]propan-1-amine
CID 116870061
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
[4-[3-(3H-benzimidazol-5-yl)phenyl]oxan-4-yl]methanamine
CID 166247306
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
4-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]butanoic acid
CID 116871995
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
CID 116921281

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine?
The IUPAC name of 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine (CID 116870087) is 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine is NCCCC1(c2ccc3nc[nH]c3c2)COC1.
What is the InChIKey of 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine?
The InChIKey is HHBSGVPFUDBMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-5-1-4-13(7-17-8-13)10-2-3-11-12(6-10)16-9-15-11/h2-3,6,9H,1,4-5,7-8,14H2,(H,15,16).
What are the key properties of 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine?
3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine has a molecular weight of 231.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).