2-(1H-benzimidazol-2-ylamino)ethanol

C9H11N3O — CID 583867

IUPAC2-(1H-benzimidazol-2-ylamino)ethanol
SMILESOCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C9H11N3O/c13-6-5-10-9-11-7-3-1-2-4-8(7)12-9/h1-4,13H,5-6H2,(H2,10,11,12)
InChIKeyFGPOQZOBPMSSAQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.97
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylamino)ethanol

2-(1H-benzimidazol-2-ylamino)ethanol (PubChem CID 583867) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylamino)ethanol.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylamino)ethanol
PubChem CID583867
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-(1H-benzimidazol-2-ylamino)ethanol
SMILESOCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C9H11N3O/c13-6-5-10-9-11-7-3-1-2-4-8(7)12-9/h1-4,13H,5-6H2,(H2,10,11,12)
InChIKeyFGPOQZOBPMSSAQ-UHFFFAOYSA-N
XLogP0.97
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylamino)ethanol?
The IUPAC name of 2-(1H-benzimidazol-2-ylamino)ethanol (CID 583867) is 2-(1H-benzimidazol-2-ylamino)ethanol.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylamino)ethanol?
The canonical SMILES for 2-(1H-benzimidazol-2-ylamino)ethanol is OCCNc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylamino)ethanol?
The InChIKey is FGPOQZOBPMSSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-6-5-10-9-11-7-3-1-2-4-8(7)12-9/h1-4,13H,5-6H2,(H2,10,11,12).
What are the key properties of 2-(1H-benzimidazol-2-ylamino)ethanol?
2-(1H-benzimidazol-2-ylamino)ethanol has a molecular weight of 177.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylamino)ethanol is sourced from PubChem (CID 583867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).