1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol

C15H23N3O — CID 106329546

IUPAC1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol
SMILESCCC(C)(CC)n1c(C(C)O)nc2cc(N)ccc21
InChIInChI=1S/C15H23N3O/c1-5-15(4,6-2)18-13-8-7-11(16)9-12(13)17-14(18)10(3)19/h7-10,19H,5-6,16H2,1-4H3
InChIKeyJGMQGROCHIQQFP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.21
Rot. Bonds4

About 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol (PubChem CID 106329546) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol
PubChem CID106329546
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol
SMILESCCC(C)(CC)n1c(C(C)O)nc2cc(N)ccc21
InChIInChI=1S/C15H23N3O/c1-5-15(4,6-2)18-13-8-7-11(16)9-12(13)17-14(18)10(3)19/h7-10,19H,5-6,16H2,1-4H3
InChIKeyJGMQGROCHIQQFP-UHFFFAOYSA-N
XLogP3.21
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.21
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

1-(3-methylpentan-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 106329553
1-(5-amino-1-butan-2-ylbenzimidazol-2-yl)ethanol
CID 62589068
1-[5-amino-1-(3,5-dimethylphenyl)benzimidazol-2-yl]ethanol
CID 62596546
3-(5-amino-2-propylbenzimidazol-1-yl)-3-methylpentan-1-ol
CID 106176317
1-[5-amino-1-(4-methylphenyl)benzimidazol-2-yl]ethanol
CID 62594144
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
1-(5-amino-1-methylbenzimidazol-2-yl)-2,2-dimethylpropane-1,3-diol
CID 91821453
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol (CID 106329546) is 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol is CCC(C)(CC)n1c(C(C)O)nc2cc(N)ccc21.
What is the InChIKey of 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol?
The InChIKey is JGMQGROCHIQQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-5-15(4,6-2)18-13-8-7-11(16)9-12(13)17-14(18)10(3)19/h7-10,19H,5-6,16H2,1-4H3.
What are the key properties of 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol has a molecular weight of 261.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(3-methylpentan-3-yl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 106329546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).