1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol

C15H24N4O — CID 62595828

IUPAC1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CCCCN(C)C
InChIInChI=1S/C15H24N4O/c1-11(20)15-17-13-10-12(16)6-7-14(13)19(15)9-5-4-8-18(2)3/h6-7,10-11,20H,4-5,8-9,16H2,1-3H3
InChIKeyHDVRQKRWGMYNOG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.01
Rot. Bonds6

About 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol

1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol (PubChem CID 62595828) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
PubChem CID62595828
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2cc(N)ccc2n1CCCCN(C)C
InChIInChI=1S/C15H24N4O/c1-11(20)15-17-13-10-12(16)6-7-14(13)19(15)9-5-4-8-18(2)3/h6-7,10-11,20H,4-5,8-9,16H2,1-3H3
InChIKeyHDVRQKRWGMYNOG-UHFFFAOYSA-N
XLogP2.01
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.01
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-propan-2-yloxybutyl)benzimidazol-2-yl]ethanol
CID 106008330
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
1-[3-(dimethylamino)propyl]-2-methylbenzimidazol-5-amine;trihydrochloride
CID 51051984
1-[5-amino-1-[2-(1-methylpyrazol-3-yl)ethyl]benzimidazol-2-yl]ethanol
CID 106106443
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62640082
1-[5-amino-1-[2-(furan-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62594347
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820

Frequently Asked Questions

What is the IUPAC name of 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol (CID 62595828) is 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol is CC(O)c1nc2cc(N)ccc2n1CCCCN(C)C.
What is the InChIKey of 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol?
The InChIKey is HDVRQKRWGMYNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(20)15-17-13-10-12(16)6-7-14(13)19(15)9-5-4-8-18(2)3/h6-7,10-11,20H,4-5,8-9,16H2,1-3H3.
What are the key properties of 1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol?
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol has a molecular weight of 276.38 g/mol, XLogP of 2.01, 6 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-(dimethylamino)butyl]benzimidazol-2-yl]ethanol is sourced from PubChem (CID 62595828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).