2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol

C15H23N3O — CID 82311668

IUPAC2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
SMILESCCN(CC)Cc1nc2cc(C)ccc2n1CCO
InChIInChI=1S/C15H23N3O/c1-4-17(5-2)11-15-16-13-10-12(3)6-7-14(13)18(15)8-9-19/h6-7,10,19H,4-5,8-9,11H2,1-3H3
InChIKeyZIZDHDBUBNADIC-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.18
Rot. Bonds6

About 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol

2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol (PubChem CID 82311668) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
PubChem CID82311668
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
SMILESCCN(CC)Cc1nc2cc(C)ccc2n1CCO
InChIInChI=1S/C15H23N3O/c1-4-17(5-2)11-15-16-13-10-12(3)6-7-14(13)18(15)8-9-19/h6-7,10,19H,4-5,8-9,11H2,1-3H3
InChIKeyZIZDHDBUBNADIC-UHFFFAOYSA-N
XLogP2.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
CID 82311680
2-[2-(aminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82332966
2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82311782
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
CID 43660321
3-[2-[[butyl(methyl)amino]methyl]-5-methylbenzimidazol-1-yl]propan-1-ol
CID 82311836
(1-hexyl-5-methylbenzimidazol-2-yl)methanol
CID 82333270
[1-[2-(dimethylamino)ethyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333285
2-[2-[[butyl(ethyl)amino]methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311171
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
2-[2-[(dipropylamino)methyl]-5-methylbenzimidazol-1-yl]acetonitrile
CID 82311169
[1-[3-(dimethylamino)propyl]-5-methylbenzimidazol-2-yl]methanol
CID 82333288
3-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-fluorobenzimidazol-1-yl]propanenitrile
CID 82311505

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol (CID 82311668) is 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol is CCN(CC)Cc1nc2cc(C)ccc2n1CCO.
What is the InChIKey of 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol?
The InChIKey is ZIZDHDBUBNADIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-17(5-2)11-15-16-13-10-12(3)6-7-14(13)18(15)8-9-19/h6-7,10,19H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol?
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).