1-aminoethanol;1H-benzimidazole

C9H13N3O — CID 158188844

IUPAC1-aminoethanol;1H-benzimidazole
SMILESCC(N)O.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C2H7NO/c1-2-4-7-6(3-1)8-5-9-7;1-2(3)4/h1-5H,(H,8,9);2,4H,3H2,1H3
InChIKeyFZMJZMIRAXWONV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.85
Rot. Bonds

About 1-aminoethanol;1H-benzimidazole

1-aminoethanol;1H-benzimidazole (PubChem CID 158188844) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-aminoethanol;1H-benzimidazole.

Molecular Properties

Compound Name1-aminoethanol;1H-benzimidazole
PubChem CID158188844
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-aminoethanol;1H-benzimidazole
SMILESCC(N)O.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C2H7NO/c1-2-4-7-6(3-1)8-5-9-7;1-2(3)4/h1-5H,(H,8,9);2,4H,3H2,1H3
InChIKeyFZMJZMIRAXWONV-UHFFFAOYSA-N
XLogP0.85
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-aminoethanol;1H-benzimidazole 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

1H-benzimidazole;propane-1,2-diamine
CID 174972252
sodium;1H-benzimidazole;2-hydroxypropanoate
CID 175014007
disilver;1H-benzimidazole
CID 21437015
bis(1H-benzimidazole);hydrate
CID 23293238
bis(1H-benzimidazole);hydrochloride
CID 163717509
1H-benzimidazole;manganese
CID 158140840
1H-benzimidazole;zinc
CID 162235320
1H-benzimidazole;ethane;molecular hydrogen
CID 142113314
acetylene;bis(1H-benzimidazole)
CID 143659644
calcium;1H-benzimidazole;hydride
CID 174891856
1H-benzimidazole;propane;hydroiodide
CID 172791937
1H-benzimidazole;methyl carbamate
CID 18504441

Frequently Asked Questions

What is the IUPAC name of 1-aminoethanol;1H-benzimidazole?
The IUPAC name of 1-aminoethanol;1H-benzimidazole (CID 158188844) is 1-aminoethanol;1H-benzimidazole.
What is the SMILES notation for 1-aminoethanol;1H-benzimidazole?
The canonical SMILES for 1-aminoethanol;1H-benzimidazole is CC(N)O.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1-aminoethanol;1H-benzimidazole?
The InChIKey is FZMJZMIRAXWONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H7NO/c1-2-4-7-6(3-1)8-5-9-7;1-2(3)4/h1-5H,(H,8,9);2,4H,3H2,1H3.
What are the key properties of 1-aminoethanol;1H-benzimidazole?
1-aminoethanol;1H-benzimidazole has a molecular weight of 179.22 g/mol, XLogP of 0.85, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethanol;1H-benzimidazole is sourced from PubChem (CID 158188844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).