2-[3H-benzimidazol-5-yl(methyl)amino]ethanol

C10H13N3O — CID 115216158

IUPAC2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
SMILESCN(CCO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H13N3O/c1-13(4-5-14)8-2-3-9-10(6-8)12-7-11-9/h2-3,6-7,14H,4-5H2,1H3,(H,11,12)
InChIKeyHHUJQDKGRJLPOX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.99
Rot. Bonds3

About 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol

2-[3H-benzimidazol-5-yl(methyl)amino]ethanol (PubChem CID 115216158) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol.

Molecular Properties

Compound Name2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
PubChem CID115216158
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-[3H-benzimidazol-5-yl(methyl)amino]ethanol
SMILESCN(CCO)c1ccc2nc[nH]c2c1
InChIInChI=1S/C10H13N3O/c1-13(4-5-14)8-2-3-9-10(6-8)12-7-11-9/h2-3,6-7,14H,4-5H2,1H3,(H,11,12)
InChIKeyHHUJQDKGRJLPOX-UHFFFAOYSA-N
XLogP0.99
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropropyl)-N-methyl-3H-benzimidazol-5-amine
CID 115215551
4-[3H-benzimidazol-5-yl(methyl)amino]butanenitrile
CID 115231610
2-[[3H-benzimidazol-5-yl(methyl)amino]methyl]butan-1-ol
CID 115250690
N-(3H-benzimidazol-5-yl)-N-methylacetamide
CID 110869162
2-[3H-benzimidazol-5-yl(methyl)amino]-2-oxoacetic acid
CID 115141264
N-(3H-benzimidazol-5-yl)-N,3,3-trimethylbutanamide
CID 110869221
4-[3H-benzimidazol-5-ylmethyl(methyl)amino]butan-1-ol
CID 115217708
N-(3H-benzimidazol-5-yl)-N'-(2-hydroxyethyl)-N'-methyloxamide
CID 108526708
2-N-(3H-benzimidazol-5-yl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138063
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
N-(3H-benzimidazol-5-yl)-N-methylazetidine-3-carboxamide
CID 115158786
3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea
CID 108885821

Frequently Asked Questions

What is the IUPAC name of 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol?
The IUPAC name of 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol (CID 115216158) is 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol.
What is the SMILES notation for 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol?
The canonical SMILES for 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol is CN(CCO)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol?
The InChIKey is HHUJQDKGRJLPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(4-5-14)8-2-3-9-10(6-8)12-7-11-9/h2-3,6-7,14H,4-5H2,1H3,(H,11,12).
What are the key properties of 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol?
2-[3H-benzimidazol-5-yl(methyl)amino]ethanol has a molecular weight of 191.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3H-benzimidazol-5-yl(methyl)amino]ethanol is sourced from PubChem (CID 115216158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).