5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one

C24H21FN6O — CID 23581660

IUPAC5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
SMILESCC(C)n1c(=O)n(C)c2cc(-c3[nH]c(-c4cnccn4)nc3-c3cccc(F)c3)ccc21
InChIInChI=1S/C24H21FN6O/c1-14(2)31-19-8-7-16(12-20(19)30(3)24(31)32)22-21(15-5-4-6-17(25)11-15)28-23(29-22)18-13-26-9-10-27-18/h4-14H,1-3H3,(H,28,29)
InChIKeyQTDHVIXOKAVZIM-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.57
Rot. Bonds4

About 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one

5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one (PubChem CID 23581660) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
PubChem CID23581660
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
SMILESCC(C)n1c(=O)n(C)c2cc(-c3[nH]c(-c4cnccn4)nc3-c3cccc(F)c3)ccc21
InChIInChI=1S/C24H21FN6O/c1-14(2)31-19-8-7-16(12-20(19)30(3)24(31)32)22-21(15-5-4-6-17(25)11-15)28-23(29-22)18-13-26-9-10-27-18/h4-14H,1-3H3,(H,28,29)
InChIKeyQTDHVIXOKAVZIM-UHFFFAOYSA-N
XLogP4.57
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Related Compounds

5-[5-(2-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581651
5-[4-(3-methylphenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 23581526
N-[5-(4-fluorophenyl)-4-(3-methyl-2-oxo-1-propan-2-ylbenzimidazol-5-yl)-1H-imidazol-2-yl]-2-methylpropanamide
CID 23581768
3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-one
CID 23581491
1-cyclopentyl-3-methyl-5-[4-(3-methylphenyl)-2-pyridin-3-yl-1H-imidazol-5-yl]benzimidazol-2-one
CID 23581461
4-[4-(3-fluorophenyl)-2-[4-(2-methylpropyl)phenyl]-1H-imidazol-5-yl]pyridine
CID 134257949
5-[4-(3-ethylphenyl)-2-thiophen-2-yl-1H-imidazol-5-yl]-1,3-dimethylbenzimidazol-2-one
CID 23581658
5-[3-amino-5-(2-fluoro-5-methylphenyl)-1H-pyrazol-4-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one
CID 23581623
1,3-dimethyl-5-(5-phenyl-1H-imidazol-4-yl)benzimidazol-2-one
CID 23581428
3-ethyl-5-[4-(3-methylphenyl)-2-piperidin-4-yl-1H-imidazol-5-yl]-1-propan-2-ylbenzimidazol-2-one
CID 23581521
4-(3-fluorophenyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 105475415
4-(3-fluorophenyl)-3-propan-2-ylpyridine
CID 135209944

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one?
The IUPAC name of 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one (CID 23581660) is 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one.
What is the SMILES notation for 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one?
The canonical SMILES for 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one is CC(C)n1c(=O)n(C)c2cc(-c3[nH]c(-c4cnccn4)nc3-c3cccc(F)c3)ccc21.
What is the InChIKey of 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one?
The InChIKey is QTDHVIXOKAVZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-14(2)31-19-8-7-16(12-20(19)30(3)24(31)32)22-21(15-5-4-6-17(25)11-15)28-23(29-22)18-13-26-9-10-27-18/h4-14H,1-3H3,(H,28,29).
What are the key properties of 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one?
5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one has a molecular weight of 428.47 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorophenyl)-2-pyrazin-2-yl-1H-imidazol-5-yl]-3-methyl-1-propan-2-ylbenzimidazol-2-one is sourced from PubChem (CID 23581660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).