2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol

C13H19N3O — CID 84696917

IUPAC2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol
SMILESCC(C)(C)c1nc2ccc(C(N)CO)cc2[nH]1
InChIInChI=1S/C13H19N3O/c1-13(2,3)12-15-10-5-4-8(9(14)7-17)6-11(10)16-12/h4-6,9,17H,7,14H2,1-3H3,(H,15,16)
InChIKeyRVJXUONGWOFBRC-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol

2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol (PubChem CID 84696917) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol
PubChem CID84696917
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol
SMILESCC(C)(C)c1nc2ccc(C(N)CO)cc2[nH]1
InChIInChI=1S/C13H19N3O/c1-13(2,3)12-15-10-5-4-8(9(14)7-17)6-11(10)16-12/h4-6,9,17H,7,14H2,1-3H3,(H,15,16)
InChIKeyRVJXUONGWOFBRC-UHFFFAOYSA-N
XLogP1.85
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-tert-butyl-3H-benzimidazol-5-yl)-2-hydroxyacetic acid
CID 117373419
3-(2-tert-butyl-3H-benzimidazol-5-yl)propan-1-ol
CID 117336779
2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
CID 123261460
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805
2-tert-butyl-6-methoxy-1H-benzimidazole
CID 58861925
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 117360875
2-tert-butyl-4,5-dihydro-1H-imidazole;2-tert-butyl-6-propan-2-yl-1H-benzimidazole;2-methylpropane
CID 157095049
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399858
3-(2-tert-butyl-3H-benzimidazol-5-yl)propanoic acid
CID 82295246

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol?
The IUPAC name of 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol (CID 84696917) is 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol?
The canonical SMILES for 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol is CC(C)(C)c1nc2ccc(C(N)CO)cc2[nH]1.
What is the InChIKey of 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol?
The InChIKey is RVJXUONGWOFBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)12-15-10-5-4-8(9(14)7-17)6-11(10)16-12/h4-6,9,17H,7,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol?
2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol has a molecular weight of 233.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol is sourced from PubChem (CID 84696917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).