2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol

C16H23N3O2 — CID 82311786

IUPAC2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol
SMILESCc1cc2nc(CN3CCOCC3)n(CCO)c2cc1C
InChIInChI=1S/C16H23N3O2/c1-12-9-14-15(10-13(12)2)19(3-6-20)16(17-14)11-18-4-7-21-8-5-18/h9-10,20H,3-8,11H2,1-2H3
InChIKeyYAVUQLFMFZNRBJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.48
Rot. Bonds4

About 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol

2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol (PubChem CID 82311786) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol
PubChem CID82311786
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol
SMILESCc1cc2nc(CN3CCOCC3)n(CCO)c2cc1C
InChIInChI=1S/C16H23N3O2/c1-12-9-14-15(10-13(12)2)19(3-6-20)16(17-14)11-18-4-7-21-8-5-18/h9-10,20H,3-8,11H2,1-2H3
InChIKeyYAVUQLFMFZNRBJ-UHFFFAOYSA-N
XLogP1.48
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310629
2-[2-[[ethyl(2-hydroxyethyl)amino]methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 82311782
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172275
2-[2-[(4-methoxyphenyl)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanol
CID 94755704
2-[5-fluoro-2-[(4-methylpiperidin-1-yl)methyl]benzimidazol-1-yl]ethanol
CID 82311641
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311687
2-[5-ethoxy-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanol
CID 82311696
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996
1-methyl-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid
CID 83967724
3-[5-methyl-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311837
4-[[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]morpholine
CID 18885145

Frequently Asked Questions

What is the IUPAC name of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol (CID 82311786) is 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol is Cc1cc2nc(CN3CCOCC3)n(CCO)c2cc1C.
What is the InChIKey of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol?
The InChIKey is YAVUQLFMFZNRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-9-14-15(10-13(12)2)19(3-6-20)16(17-14)11-18-4-7-21-8-5-18/h9-10,20H,3-8,11H2,1-2H3.
What are the key properties of 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol?
2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol has a molecular weight of 289.38 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,6-dimethyl-2-(morpholin-4-ylmethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 82311786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).