1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol

C21H18FN5O — CID 140737298

IUPAC1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(C)(C)O)cn12
InChIInChI=1S/C21H18FN5O/c1-21(2,28)12-26-13-25-19(14-4-7-16(22)8-5-14)20(26)15-6-9-17-24-10-18(23-3)27(17)11-15/h4-11,13,28H,12H2,1-2H3
InChIKeyXODQDFLUVQRLOE-UHFFFAOYSA-N
MW375.41 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol

1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol (PubChem CID 140737298) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
PubChem CID140737298
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
SMILES[C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(C)(C)O)cn12
InChIInChI=1S/C21H18FN5O/c1-21(2,28)12-26-13-25-19(14-4-7-16(22)8-5-14)20(26)15-6-9-17-24-10-18(23-3)27(17)11-15/h4-11,13,28H,12H2,1-2H3
InChIKeyXODQDFLUVQRLOE-UHFFFAOYSA-N
XLogP4.33
TPSA59.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737268
6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737362
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
CID 122523296
6-[3-(4-fluorophenyl)-1,5-dimethylpyrazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 161438503
6-[5-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile
CID 122510433
6-[3-ethyl-5-(4-fluorophenyl)-2-nitroimidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 157297472
2-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]ethanol
CID 140737385
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510483
3-[5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-2-sulfanylpropane-1,2-diol
CID 140510144
1-[5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
CID 153277558
6-[3-[(2R)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159213641

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol (CID 140737298) is 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol is [C-]#[N+]c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(C)(C)O)cn12.
What is the InChIKey of 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is XODQDFLUVQRLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c1-21(2,28)12-26-13-25-19(14-4-7-16(22)8-5-14)20(26)15-6-9-17-24-10-18(23-3)27(17)11-15/h4-11,13,28H,12H2,1-2H3.
What are the key properties of 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol?
1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 375.41 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 140737298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).