4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol

C16H23N3O — CID 116695327

IUPAC4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCn1cnc(C)c1C)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-13-14(2)19(12-18-13)10-9-16(11-20,17-3)15-7-5-4-6-8-15/h4-8,12,17,20H,9-11H2,1-3H3
InChIKeyVLVTWVXYQSHTDZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.00
Rot. Bonds6

About 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol

4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol (PubChem CID 116695327) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
PubChem CID116695327
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
SMILESCNC(CO)(CCn1cnc(C)c1C)c1ccccc1
InChIInChI=1S/C16H23N3O/c1-13-14(2)19(12-18-13)10-9-16(11-20,17-3)15-7-5-4-6-8-15/h4-8,12,17,20H,9-11H2,1-3H3
InChIKeyVLVTWVXYQSHTDZ-UHFFFAOYSA-N
XLogP2.00
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-2-phenyl-4-(3,4,5-trimethylpyrazol-1-yl)butan-1-ol
CID 116695367
4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutanoic acid
CID 116694044
2-(methylamino)-4-(5-methylpyrazol-1-yl)-2-phenylbutan-1-ol
CID 116695380
2-(methylamino)-3-(2-methylimidazol-1-yl)-2-phenylpropan-1-ol
CID 64811940
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)-2-phenylbutan-1-ol
CID 104961356
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]aniline
CID 62565856
4-ethylsulfanyl-2-(methylamino)-2-phenylbutan-1-ol
CID 116695709
4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695306
4-(3,3-dimethylbutoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695556
2-(methylamino)-4-(3-methylbutoxy)-2-phenylbutan-1-ol
CID 116695468
4-(2-methoxyethoxy)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695482
4-(2-ethylmorpholin-4-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695149

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol (CID 116695327) is 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol is CNC(CO)(CCn1cnc(C)c1C)c1ccccc1.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol?
The InChIKey is VLVTWVXYQSHTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13-14(2)19(12-18-13)10-9-16(11-20,17-3)15-7-5-4-6-8-15/h4-8,12,17,20H,9-11H2,1-3H3.
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol?
4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-2-(methylamino)-2-phenylbutan-1-ol is sourced from PubChem (CID 116695327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).