3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one

C16H25N3O2 — CID 79379451

IUPAC3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one
SMILESCCN(CCCn1c(=O)[nH]c2ccccc21)CC(C)(C)O
InChIInChI=1S/C16H25N3O2/c1-4-18(12-16(2,3)21)10-7-11-19-14-9-6-5-8-13(14)17-15(19)20/h5-6,8-9,21H,4,7,10-12H2,1-3H3,(H,17,20)
InChIKeyFVRGKCHMYRKNDL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.81
Rot. Bonds7

About 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one

3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one (PubChem CID 79379451) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one
PubChem CID79379451
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one
SMILESCCN(CCCn1c(=O)[nH]c2ccccc21)CC(C)(C)O
InChIInChI=1S/C16H25N3O2/c1-4-18(12-16(2,3)21)10-7-11-19-14-9-6-5-8-13(14)17-15(19)20/h5-6,8-9,21H,4,7,10-12H2,1-3H3,(H,17,20)
InChIKeyFVRGKCHMYRKNDL-UHFFFAOYSA-N
XLogP1.81
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]propanoic acid
CID 81222378
3-[3-[3-hydroxybutyl(methyl)amino]propyl]-1H-benzimidazol-2-one
CID 115666909
1-[ethyl(3-phenylpropyl)amino]-2-methylpropan-2-ol
CID 78962338
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660
3-[2-[2-chloroethyl(propyl)amino]ethyl]-1H-benzimidazol-2-one
CID 153399355
5-amino-3-[4-(diethylamino)butyl]-1H-benzimidazol-2-one
CID 110491667
3-[3-(2-amino-2-methylbutoxy)propyl]-1H-benzimidazol-2-one
CID 106938306
CID 70523740
CID 70523740
3-[3-(2-amino-2-methylpropoxy)propyl]-1H-benzimidazol-2-one
CID 106938183
3-(3-aminooxypropyl)-1H-benzimidazol-2-one
CID 106938634
6-(2-oxo-3H-benzimidazol-1-yl)hexylcarbamic acid
CID 21273383

Frequently Asked Questions

What is the IUPAC name of 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one (CID 79379451) is 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one is CCN(CCCn1c(=O)[nH]c2ccccc21)CC(C)(C)O.
What is the InChIKey of 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one?
The InChIKey is FVRGKCHMYRKNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-18(12-16(2,3)21)10-7-11-19-14-9-6-5-8-13(14)17-15(19)20/h5-6,8-9,21H,4,7,10-12H2,1-3H3,(H,17,20).
What are the key properties of 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one?
3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one has a molecular weight of 291.39 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 79379451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).