2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol

C14H21N3O — CID 115144108

IUPAC2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
SMILESCN(c1nc2ccccc2n1CCO)C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-14(2,3)16(4)13-15-11-7-5-6-8-12(11)17(13)9-10-18/h5-8,18H,9-10H2,1-4H3
InChIKeyNTWREDQJJPHFHS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.26
Rot. Bonds3

About 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol

2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol (PubChem CID 115144108) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
PubChem CID115144108
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol
SMILESCN(c1nc2ccccc2n1CCO)C(C)(C)C
InChIInChI=1S/C14H21N3O/c1-14(2,3)16(4)13-15-11-7-5-6-8-12(11)17(13)9-10-18/h5-8,18H,9-10H2,1-4H3
InChIKeyNTWREDQJJPHFHS-UHFFFAOYSA-N
XLogP2.26
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]acetic acid
CID 115144077
2-[2-[4-[1-(2-hydroxyethyl)benzimidazol-2-yl]phenyl]benzimidazol-1-yl]ethanol
CID 174213303
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]ethanol
CID 82149276
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-[1-(2-hydroxyethyl)benzimidazol-2-yl]ethanone
CID 12515570
2-[2-(2-aminopentan-2-yl)benzimidazol-1-yl]ethanol
CID 54880285
2-[2-(2-amino-4,5-dimethylthiophen-3-yl)benzimidazol-1-yl]ethanol
CID 60980790
2-[2-[(dipropylamino)methyl]benzimidazol-1-yl]ethanol
CID 82311619
3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
CID 143080552
2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)benzimidazol-1-yl]ethanol
CID 50959699
2-[2-(5-amino-1-methylpyrazol-4-yl)benzimidazol-1-yl]ethanol
CID 54880379
2-[2-(5-amino-2-methylphenyl)benzimidazol-1-yl]ethanol
CID 63652268

Frequently Asked Questions

What is the IUPAC name of 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol (CID 115144108) is 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol is CN(c1nc2ccccc2n1CCO)C(C)(C)C.
What is the InChIKey of 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol?
The InChIKey is NTWREDQJJPHFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)16(4)13-15-11-7-5-6-8-12(11)17(13)9-10-18/h5-8,18H,9-10H2,1-4H3.
What are the key properties of 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol?
2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol has a molecular weight of 247.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[tert-butyl(methyl)amino]benzimidazol-1-yl]ethanol is sourced from PubChem (CID 115144108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).