(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol

C10H13N3O2 — CID 54502108

IUPAC(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol
SMILESNC[C@H](O)COc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H13N3O2/c11-4-7(14)5-15-8-1-2-9-10(3-8)13-6-12-9/h1-3,6-7,14H,4-5,11H2,(H,12,13)/t7-/m0/s1
InChIKeyYDDJQURPSURBGQ-ZETCQYMHSA-N
MW207.23 g/mol
LogP0.26
Rot. Bonds4

About (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol

(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol (PubChem CID 54502108) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol
PubChem CID54502108
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol
SMILESNC[C@H](O)COc1ccc2nc[nH]c2c1
InChIInChI=1S/C10H13N3O2/c11-4-7(14)5-15-8-1-2-9-10(3-8)13-6-12-9/h1-3,6-7,14H,4-5,11H2,(H,12,13)/t7-/m0/s1
InChIKeyYDDJQURPSURBGQ-ZETCQYMHSA-N
XLogP0.26
TPSA84.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol 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

6-(methoxymethoxy)-1H-benzimidazole
CID 141171013
4-(3H-benzimidazol-5-yloxy)butanenitrile
CID 84816220
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3H-benzimidazole-5-carboxamide
CID 111110998
1-amino-3-naphthalen-2-yloxypropan-2-ol;hydrochloride
CID 119057189
4-(3H-benzimidazol-5-yloxy)aniline
CID 18375963
6-(azetidin-3-ylmethoxy)-1H-benzimidazole
CID 84671565
(2S)-1-amino-3-[4-[[4-[(2S)-3-amino-2-hydroxypropoxy]phenyl]methyl]phenoxy]propan-2-ol
CID 34178474
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
6-(4-methoxyphenoxy)-1H-benzimidazole
CID 59279300
1-amino-3-(3-fluorophenoxy)propan-2-ol
CID 16784461
6-(piperazin-1-ylmethoxy)-1H-benzimidazole
CID 84816221
6-(4-ethylphenoxy)-1H-benzimidazole
CID 143445574

Frequently Asked Questions

What is the IUPAC name of (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol?
The IUPAC name of (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol (CID 54502108) is (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol.
What is the SMILES notation for (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol?
The canonical SMILES for (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol is NC[C@H](O)COc1ccc2nc[nH]c2c1.
What is the InChIKey of (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol?
The InChIKey is YDDJQURPSURBGQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13N3O2/c11-4-7(14)5-15-8-1-2-9-10(3-8)13-6-12-9/h1-3,6-7,14H,4-5,11H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol?
(2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol has a molecular weight of 207.23 g/mol, XLogP of 0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-amino-3-(3H-benzimidazol-5-yloxy)propan-2-ol is sourced from PubChem (CID 54502108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).