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

C16H25N3O — CID 82311680

IUPAC2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
SMILESCCc1ccc2c(c1)nc(CN(CC)CC)n2CCO
InChIInChI=1S/C16H25N3O/c1-4-13-7-8-15-14(11-13)17-16(19(15)9-10-20)12-18(5-2)6-3/h7-8,11,20H,4-6,9-10,12H2,1-3H3
InChIKeyUZCWKHLYCCBKIQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.43
Rot. Bonds7

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

2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol (PubChem CID 82311680) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
PubChem CID82311680
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
SMILESCCc1ccc2c(c1)nc(CN(CC)CC)n2CCO
InChIInChI=1S/C16H25N3O/c1-4-13-7-8-15-14(11-13)17-16(19(15)9-10-20)12-18(5-2)6-3/h7-8,11,20H,4-6,9-10,12H2,1-3H3
InChIKeyUZCWKHLYCCBKIQ-UHFFFAOYSA-N
XLogP2.43
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82311782
3-[2-[(dimethylamino)methyl]-5-ethylbenzimidazol-1-yl]propan-1-amine
CID 82310788
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
(5-ethyl-1-heptylbenzimidazol-2-yl)methanamine
CID 82333503
3-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5-fluorobenzimidazol-1-yl]propanenitrile
CID 82311505
3-[2-(diethylaminomethyl)-5-methoxybenzimidazol-1-yl]propanenitrile
CID 82311542
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
N-ethyl-2-(5-ethyl-1-pentylbenzimidazol-2-yl)ethanamine
CID 82333656
2-[2-[[2-hydroxyethyl(methyl)amino]methyl]-5-methoxybenzimidazol-1-yl]ethanol
CID 82311690

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol (CID 82311680) is 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol is CCc1ccc2c(c1)nc(CN(CC)CC)n2CCO.
What is the InChIKey of 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol?
The InChIKey is UZCWKHLYCCBKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-13-7-8-15-14(11-13)17-16(19(15)9-10-20)12-18(5-2)6-3/h7-8,11,20H,4-6,9-10,12H2,1-3H3.
What are the key properties of 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol?
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol has a molecular weight of 275.40 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).