2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol

C13H17N3O2 — CID 82336117

IUPAC2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
SMILESCC(c1nc2ccc(O)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C13H17N3O2/c1-9(16-4-6-18-7-5-16)13-14-11-3-2-10(17)8-12(11)15-13/h2-3,8-9,17H,4-7H2,1H3,(H,14,15)
InChIKeySHWUNEUSOHKRJB-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.66
Rot. Bonds2

About 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol

2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol (PubChem CID 82336117) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
PubChem CID82336117
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol
SMILESCC(c1nc2ccc(O)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C13H17N3O2/c1-9(16-4-6-18-7-5-16)13-14-11-3-2-10(17)8-12(11)15-13/h2-3,8-9,17H,4-7H2,1H3,(H,14,15)
InChIKeySHWUNEUSOHKRJB-UHFFFAOYSA-N
XLogP1.66
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol
CID 82336102
4-[1-(6-fluoro-1H-benzimidazol-2-yl)-2-methylpropyl]morpholine
CID 82336517
2-[(1S)-1-aminoethyl]-3H-benzimidazol-5-ol
CID 69314900
2-(1-morpholin-4-ylethyl)-3H-quinazolin-4-one
CID 135406762
2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667
2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
CID 81432291
4-[1-(1H-benzimidazol-2-yl)propyl]morpholine
CID 82336424
2-(1-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazole
CID 82336593
4-[1-(6-methoxy-1H-benzimidazol-2-yl)propyl]morpholine
CID 82336375
6-ethyl-2-[1-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazole
CID 82336181
2-(1-piperazin-1-ylethyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81456711
2-(2-amino-1-methoxyethyl)-3H-benzimidazol-5-ol
CID 106108763

Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol?
The IUPAC name of 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol (CID 82336117) is 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol?
The canonical SMILES for 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol is CC(c1nc2ccc(O)cc2[nH]1)N1CCOCC1.
What is the InChIKey of 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol?
The InChIKey is SHWUNEUSOHKRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(16-4-6-18-7-5-16)13-14-11-3-2-10(17)8-12(11)15-13/h2-3,8-9,17H,4-7H2,1H3,(H,14,15).
What are the key properties of 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol?
2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol has a molecular weight of 247.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylethyl)-3H-benzimidazol-5-ol is sourced from PubChem (CID 82336117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).