5-amino-2-methyl-1H-benzimidazol-4-ol

C8H9N3O — CID 68501476

IUPAC5-amino-2-methyl-1H-benzimidazol-4-ol
SMILESCc1nc2c(O)c(N)ccc2[nH]1
InChIInChI=1S/C8H9N3O/c1-4-10-6-3-2-5(9)8(12)7(6)11-4/h2-3,12H,9H2,1H3,(H,10,11)
InChIKeyREENMMGGORTWNK-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.16
Rot. Bonds

About 5-amino-2-methyl-1H-benzimidazol-4-ol

5-amino-2-methyl-1H-benzimidazol-4-ol (PubChem CID 68501476) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 5-amino-2-methyl-1H-benzimidazol-4-ol.

Molecular Properties

Compound Name5-amino-2-methyl-1H-benzimidazol-4-ol
PubChem CID68501476
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name5-amino-2-methyl-1H-benzimidazol-4-ol
SMILESCc1nc2c(O)c(N)ccc2[nH]1
InChIInChI=1S/C8H9N3O/c1-4-10-6-3-2-5(9)8(12)7(6)11-4/h2-3,12H,9H2,1H3,(H,10,11)
InChIKeyREENMMGGORTWNK-UHFFFAOYSA-N
XLogP1.16
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-1H-benzimidazol-4-ol?
The IUPAC name of 5-amino-2-methyl-1H-benzimidazol-4-ol (CID 68501476) is 5-amino-2-methyl-1H-benzimidazol-4-ol.
What is the SMILES notation for 5-amino-2-methyl-1H-benzimidazol-4-ol?
The canonical SMILES for 5-amino-2-methyl-1H-benzimidazol-4-ol is Cc1nc2c(O)c(N)ccc2[nH]1.
What is the InChIKey of 5-amino-2-methyl-1H-benzimidazol-4-ol?
The InChIKey is REENMMGGORTWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c1-4-10-6-3-2-5(9)8(12)7(6)11-4/h2-3,12H,9H2,1H3,(H,10,11).
What are the key properties of 5-amino-2-methyl-1H-benzimidazol-4-ol?
5-amino-2-methyl-1H-benzimidazol-4-ol has a molecular weight of 163.18 g/mol, XLogP of 1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-1H-benzimidazol-4-ol is sourced from PubChem (CID 68501476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).