4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol

C13H19N3O2 — CID 106248081

IUPAC4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCn1c(C)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O2/c1-9-15-12-7-10(14)3-4-13(12)16(9)6-5-11(17)8-18-2/h3-4,7,11,17H,5-6,8,14H2,1-2H3
InChIKeySZQNPUXBZFRQIQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.32
Rot. Bonds5

About 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol

4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol (PubChem CID 106248081) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol.

Molecular Properties

Compound Name4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol
PubChem CID106248081
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol
SMILESCOCC(O)CCn1c(C)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O2/c1-9-15-12-7-10(14)3-4-13(12)16(9)6-5-11(17)8-18-2/h3-4,7,11,17H,5-6,8,14H2,1-2H3
InChIKeySZQNPUXBZFRQIQ-UHFFFAOYSA-N
XLogP1.32
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-amino-2-methylbenzimidazol-1-yl)ethoxy]ethanol
CID 62499134
6-(5-amino-2-methylbenzimidazol-1-yl)hexan-1-ol
CID 107849624
1-(3-hydroxy-4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 106248054
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
CID 63828297
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
3-[2-(5-amino-2-methylbenzimidazol-1-yl)ethylsulfanyl]propan-1-ol
CID 106305112
2-methyl-1-(3-phenylpropyl)benzimidazol-5-amine
CID 62506548
2-methyl-1-[2-(trifluoromethylsulfanyl)ethyl]benzimidazol-5-amine
CID 114188217
2-methyl-1-(2,2,3-trimethylbutyl)benzimidazol-5-amine
CID 114101961
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbenzimidazol-5-amine
CID 106039427
4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
2-methyl-1-(pyrimidin-4-ylmethyl)benzimidazol-5-amine
CID 114112062

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol?
The IUPAC name of 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol (CID 106248081) is 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol.
What is the SMILES notation for 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol?
The canonical SMILES for 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol is COCC(O)CCn1c(C)nc2cc(N)ccc21.
What is the InChIKey of 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol?
The InChIKey is SZQNPUXBZFRQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-15-12-7-10(14)3-4-13(12)16(9)6-5-11(17)8-18-2/h3-4,7,11,17H,5-6,8,14H2,1-2H3.
What are the key properties of 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol?
4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol has a molecular weight of 249.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-methylbenzimidazol-1-yl)-1-methoxybutan-2-ol is sourced from PubChem (CID 106248081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).