2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol

C14H21N3O — CID 82335958

IUPAC2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
SMILESCCc1ccc2nc(CN(CC)CCO)[nH]c2c1
InChIInChI=1S/C14H21N3O/c1-3-11-5-6-12-13(9-11)16-14(15-12)10-17(4-2)7-8-18/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,15,16)
InChIKeyQQAOZVLHDBTSMZ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds6

About 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol

2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol (PubChem CID 82335958) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
PubChem CID82335958
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol
SMILESCCc1ccc2nc(CN(CC)CCO)[nH]c2c1
InChIInChI=1S/C14H21N3O/c1-3-11-5-6-12-13(9-11)16-14(15-12)10-17(4-2)7-8-18/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,15,16)
InChIKeyQQAOZVLHDBTSMZ-UHFFFAOYSA-N
XLogP1.94
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-ethyl-1H-benzimidazol-2-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 82335944
2-(chloromethyl)-6-ethyl-1H-benzimidazole
CID 14096341
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
2-[1H-benzimidazol-2-ylmethyl(propyl)amino]ethanol
CID 60691476
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-ethylbutan-1-amine
CID 82335876
2-[ethyl-[(4-ethylphenyl)methyl]amino]ethanol
CID 62021239
2-[1H-benzimidazol-2-ylmethyl(butyl)amino]ethanol
CID 60689151
3-(6-ethyl-1H-benzimidazol-2-yl)propanoic acid
CID 79017254
6-ethyl-2-(2-methylbutyl)-1H-benzimidazole
CID 114875306
2-[2-[2-(6-ethyl-1H-benzimidazol-2-yl)ethylamino]ethoxy]ethanol
CID 82337062
N-(1H-benzimidazol-2-ylmethyl)-N-ethylbutan-1-amine
CID 82335815
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol (CID 82335958) is 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol is CCc1ccc2nc(CN(CC)CCO)[nH]c2c1.
What is the InChIKey of 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol?
The InChIKey is QQAOZVLHDBTSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-3-11-5-6-12-13(9-11)16-14(15-12)10-17(4-2)7-8-18/h5-6,9,18H,3-4,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol?
2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol has a molecular weight of 247.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(6-ethyl-1H-benzimidazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 82335958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).