1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol

C16H23N3O — CID 135256386

IUPAC1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-16(2,3)15(20)18-11-14-17-9-10-19(14)12-13-7-5-4-6-8-13/h4-10,15,18,20H,11-12H2,1-3H3
InChIKeyIKKQXNIQWDIEER-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.39
Rot. Bonds5

About 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol

1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol (PubChem CID 135256386) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
PubChem CID135256386
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)NCc1nccn1Cc1ccccc1
InChIInChI=1S/C16H23N3O/c1-16(2,3)15(20)18-11-14-17-9-10-19(14)12-13-7-5-4-6-8-13/h4-10,15,18,20H,11-12H2,1-3H3
InChIKeyIKKQXNIQWDIEER-UHFFFAOYSA-N
XLogP2.39
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(1-benzylimidazol-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 60514774
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
1-[(1-benzylimidazol-2-yl)methyl]-3-(2-hydroxy-2-methylpropyl)urea
CID 71867707
N-[(1-benzylimidazol-2-yl)methyl]-3-hydroxy-3-phenylbutanamide
CID 110025568
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 24715628
N-[(1-benzylimidazol-2-yl)methyl]-4-methylpyrimidin-2-amine
CID 45241917
N-[(1-benzylimidazol-2-yl)methyl]-6-methylpyridazin-3-amine
CID 45219998
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
N-[(1-benzylimidazol-2-yl)methyl]-6-chloro-2-methylpyrimidin-4-amine
CID 133324117
N-[(1-benzylimidazol-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 111465680

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol (CID 135256386) is 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)NCc1nccn1Cc1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol?
The InChIKey is IKKQXNIQWDIEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)15(20)18-11-14-17-9-10-19(14)12-13-7-5-4-6-8-13/h4-10,15,18,20H,11-12H2,1-3H3.
What are the key properties of 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol?
1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methylamino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 135256386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).