2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol

C14H21N3O — CID 123261460

IUPAC2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
SMILESCC(C)(C)c1ccc2nc(C(C)(N)CO)[nH]c2c1
InChIInChI=1S/C14H21N3O/c1-13(2,3)9-5-6-10-11(7-9)17-12(16-10)14(4,15)8-18/h5-7,18H,8,15H2,1-4H3,(H,16,17)
InChIKeyYWRJRDVPJPUXJJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.03
Rot. Bonds2

About 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol

2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol (PubChem CID 123261460) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
PubChem CID123261460
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol
SMILESCC(C)(C)c1ccc2nc(C(C)(N)CO)[nH]c2c1
InChIInChI=1S/C14H21N3O/c1-13(2,3)9-5-6-10-11(7-9)17-12(16-10)14(4,15)8-18/h5-7,18H,8,15H2,1-4H3,(H,16,17)
InChIKeyYWRJRDVPJPUXJJ-UHFFFAOYSA-N
XLogP2.03
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]propan-2-ol
CID 81455714
2-(1-hydroxy-2-methylpropan-2-yl)-3H-benzimidazole-5-carboxylic acid
CID 62735128
2-amino-2-(2-tert-butyl-3H-benzimidazol-5-yl)ethanol
CID 84696917
3-(2-tert-butyl-3H-benzimidazol-5-yl)propan-1-ol
CID 117336779
1-(6-tert-butyl-1H-benzimidazol-2-yl)butan-1-ol
CID 155560387
2-tert-butyl-N-methoxy-3H-benzimidazol-5-amine
CID 155399354
N-[(6-tert-butyl-1H-benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 163425799
2-[[(2-tert-butyl-3H-benzimidazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81399858
2-(5,6-dimethyl-1H-benzimidazol-2-yl)butan-2-amine
CID 79798999
4-[2-(6-bromo-1H-benzimidazol-2-yl)propan-2-yl]aniline
CID 80554676
3-(6-fluoro-1H-benzimidazol-2-yl)-2,3-dimethylbutan-2-amine
CID 65261564
1-[(2-tert-butyl-3H-benzimidazol-5-yl)methyl]cyclopropan-1-amine
CID 117360875

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol?
The IUPAC name of 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol (CID 123261460) is 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol is CC(C)(C)c1ccc2nc(C(C)(N)CO)[nH]c2c1.
What is the InChIKey of 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol?
The InChIKey is YWRJRDVPJPUXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(2,3)9-5-6-10-11(7-9)17-12(16-10)14(4,15)8-18/h5-7,18H,8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol?
2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol has a molecular weight of 247.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-tert-butyl-1H-benzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 123261460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).