1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol

C26H34FN3O — CID 143107481

IUPAC1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol
SMILESCc1cc(F)cc(CCC(O)CNCc2cc(CC(C)(C)C)ccc2-n2ccnc2)c1
InChIInChI=1S/C26H34FN3O/c1-19-11-20(14-23(27)12-19)5-7-24(31)17-29-16-22-13-21(15-26(2,3)4)6-8-25(22)30-10-9-28-18-30/h6,8-14,18,24,29,31H,5,7,15-17H2,1-4H3
InChIKeyAYYFQKHZVVUQHK-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.99
Rot. Bonds9

About 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol

1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol (PubChem CID 143107481) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol
PubChem CID143107481
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC Name1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol
SMILESCc1cc(F)cc(CCC(O)CNCc2cc(CC(C)(C)C)ccc2-n2ccnc2)c1
InChIInChI=1S/C26H34FN3O/c1-19-11-20(14-23(27)12-19)5-7-24(31)17-29-16-22-13-21(15-26(2,3)4)6-8-25(22)30-10-9-28-18-30/h6,8-14,18,24,29,31H,5,7,15-17H2,1-4H3
InChIKeyAYYFQKHZVVUQHK-UHFFFAOYSA-N
XLogP4.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol with MolForge

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Related Compounds

tert-butyl N-[(3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[2-imidazol-1-yl-5-(2-methylpropyl)phenyl]methylamino]butan-2-yl]carbamate
CID 157137598
N-[(5-fluoro-2-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 63070560
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
1-[(4-imidazol-1-ylphenyl)methylamino]-3-phenylpropan-2-ol
CID 111104787
1-(3-imidazol-1-yl-5-methylphenyl)-3,3-dimethylbutan-1-ol
CID 150684067
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
1-[(2,5-difluorophenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103675866
(4-imidazol-1-yl-3-methylphenyl)methanol
CID 62122421
1-[(5-fluoro-3-pyridinyl)methylamino]pentan-2-ol
CID 104953695
1-chloro-3-[2-imidazol-1-yl-5-(trifluoromethyl)anilino]propan-2-ol
CID 168637796
N-[(4-fluoro-2-methylphenyl)methyl]-3-imidazol-1-ylaniline
CID 62134903
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol?
The IUPAC name of 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol (CID 143107481) is 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol?
The canonical SMILES for 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol is Cc1cc(F)cc(CCC(O)CNCc2cc(CC(C)(C)C)ccc2-n2ccnc2)c1.
What is the InChIKey of 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol?
The InChIKey is AYYFQKHZVVUQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-19-11-20(14-23(27)12-19)5-7-24(31)17-29-16-22-13-21(15-26(2,3)4)6-8-25(22)30-10-9-28-18-30/h6,8-14,18,24,29,31H,5,7,15-17H2,1-4H3.
What are the key properties of 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol?
1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol has a molecular weight of 423.58 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2,2-dimethylpropyl)-2-imidazol-1-ylphenyl]methylamino]-4-(3-fluoro-5-methylphenyl)butan-2-ol is sourced from PubChem (CID 143107481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).