5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole

C21H18F2N4O — CID 50972642

IUPAC5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole
SMILESCOc1ccc(-c2c(-c3ccccc3)ncn2CCc2cnc[nH]2)c(F)c1F
InChIInChI=1S/C21H18F2N4O/c1-28-17-8-7-16(18(22)19(17)23)21-20(14-5-3-2-4-6-14)26-13-27(21)10-9-15-11-24-12-25-15/h2-8,11-13H,9-10H2,1H3,(H,24,25)
InChIKeyBDLBGNMJJOVGGU-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.47
Rot. Bonds6

About 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole

5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole (PubChem CID 50972642) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole
PubChem CID50972642
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole
SMILESCOc1ccc(-c2c(-c3ccccc3)ncn2CCc2cnc[nH]2)c(F)c1F
InChIInChI=1S/C21H18F2N4O/c1-28-17-8-7-16(18(22)19(17)23)21-20(14-5-3-2-4-6-14)26-13-27(21)10-9-15-11-24-12-25-15/h2-8,11-13H,9-10H2,1H3,(H,24,25)
InChIKeyBDLBGNMJJOVGGU-UHFFFAOYSA-N
XLogP4.47
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-1H-imidazole
CID 3792851
Fenflumizole
CID 68917
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
5-(4-methoxyphenyl)-1-methyl-1H-imidazol-2-amine
CID 1132944
6-(4-methoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538782
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 34
CID 6538787
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-1H-imidazole
CID 6539900
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
2-(4-tert-Butyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 18536613

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole?
The IUPAC name of 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole (CID 50972642) is 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole.
What is the SMILES notation for 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole?
The canonical SMILES for 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole is COc1ccc(-c2c(-c3ccccc3)ncn2CCc2cnc[nH]2)c(F)c1F.
What is the InChIKey of 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole?
The InChIKey is BDLBGNMJJOVGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c1-28-17-8-7-16(18(22)19(17)23)21-20(14-5-3-2-4-6-14)26-13-27(21)10-9-15-11-24-12-25-15/h2-8,11-13H,9-10H2,1H3,(H,24,25).
What are the key properties of 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole?
5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole has a molecular weight of 380.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoro-4-methoxyphenyl)-1-[2-(1H-imidazol-5-yl)ethyl]-4-phenylimidazole is sourced from PubChem (CID 50972642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).