1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole

C20H16ClFN4O — CID 11682421

IUPAC1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole
SMILESCOc1ccc(F)cc1-c1nc(Cc2ncc[nH]2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN4O/c1-27-18-7-4-14(22)10-17(18)20-25-15(11-19-23-8-9-24-19)12-26(20)16-5-2-13(21)3-6-16/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyBTIGCSKNASYDLF-UHFFFAOYSA-N
MW382.83 g/mol
LogP4.65
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole

1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole (PubChem CID 11682421) has the molecular formula C20H16ClFN4O and a molecular weight of 382.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole
PubChem CID11682421
Molecular FormulaC20H16ClFN4O
Molecular Weight382.83 g/mol
Exact Mass382.10
IUPAC Name1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole
SMILESCOc1ccc(F)cc1-c1nc(Cc2ncc[nH]2)cn1-c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN4O/c1-27-18-7-4-14(22)10-17(18)20-25-15(11-19-23-8-9-24-19)12-26(20)16-5-2-13(21)3-6-16/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyBTIGCSKNASYDLF-UHFFFAOYSA-N
XLogP4.65
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole (CID 11682421) is 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole is COc1ccc(F)cc1-c1nc(Cc2ncc[nH]2)cn1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole?
The InChIKey is BTIGCSKNASYDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4O/c1-27-18-7-4-14(22)10-17(18)20-25-15(11-19-23-8-9-24-19)12-26(20)16-5-2-13(21)3-6-16/h2-10,12H,11H2,1H3,(H,23,24).
What are the key properties of 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole?
1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole has a molecular weight of 382.83 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-fluoro-2-methoxyphenyl)-4-(1H-imidazol-2-ylmethyl)imidazole is sourced from PubChem (CID 11682421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).