1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol

C16H25N3O2 — CID 106008330

IUPAC1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
SMILESCC(C)OCCCCn1c(C(C)O)nc2cc(N)ccc21
InChIInChI=1S/C16H25N3O2/c1-11(2)21-9-5-4-8-19-15-7-6-13(17)10-14(15)18-16(19)12(3)20/h6-7,10-12,20H,4-5,8-9,17H2,1-3H3
InChIKeyIEDJEBCUXLECRC-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.88
Rot. Bonds7

About 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol

1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol (PubChem CID 106008330) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
PubChem CID106008330
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
SMILESCC(C)OCCCCn1c(C(C)O)nc2cc(N)ccc21
InChIInChI=1S/C16H25N3O2/c1-11(2)21-9-5-4-8-19-15-7-6-13(17)10-14(15)18-16(19)12(3)20/h6-7,10-12,20H,4-5,8-9,17H2,1-3H3
InChIKeyIEDJEBCUXLECRC-UHFFFAOYSA-N
XLogP2.88
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol
CID 106106443
1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62594347
2-(1-hydroxyethyl)-1-(2-hydroxyethyl)benzimidazole-5-carboxylic acid
CID 46308149
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
2-[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)ethoxy]acetamide
CID 106240243
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol (CID 106008330) is 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol is CC(C)OCCCCn1c(C(C)O)nc2cc(N)ccc21.
What is the InChIKey of 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol?
The InChIKey is IEDJEBCUXLECRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-11(2)21-9-5-4-8-19-15-7-6-13(17)10-14(15)18-16(19)12(3)20/h6-7,10-12,20H,4-5,8-9,17H2,1-3H3.
What are the key properties of 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol?
1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol has a molecular weight of 291.40 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-amino-1-(4-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 106008330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).