1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol

C14H19N3O — CID 62595452

IUPAC1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CC1CCC1
InChIInChI=1S/C14H19N3O/c1-9(18)14-16-12-7-11(15)5-6-13(12)17(14)8-10-3-2-4-10/h5-7,9-10,18H,2-4,8,15H2,1H3
InChIKeyDBBYKBSQEDHZLX-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.47
Rot. Bonds3

About 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol (PubChem CID 62595452) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
PubChem CID62595452
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CC1CCC1
InChIInChI=1S/C14H19N3O/c1-9(18)14-16-12-7-11(15)5-6-13(12)17(14)8-10-3-2-4-10/h5-7,9-10,18H,2-4,8,15H2,1H3
InChIKeyDBBYKBSQEDHZLX-UHFFFAOYSA-N
XLogP2.47
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137531
1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507903
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
CID 62594160
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
1-[5-amino-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62591100
1-[5-amino-1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62595654

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol (CID 62595452) is 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1CC1CCC1.
What is the InChIKey of 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol?
The InChIKey is DBBYKBSQEDHZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9(18)14-16-12-7-11(15)5-6-13(12)17(14)8-10-3-2-4-10/h5-7,9-10,18H,2-4,8,15H2,1H3.
What are the key properties of 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol has a molecular weight of 245.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62595452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).