3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole

C24H18FN3O — CID 139757983

IUPAC3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H18FN3O/c1-29-16-12-10-15(11-13-16)22-23(19-14-26-21-9-5-3-6-17(19)21)28-24(27-22)18-7-2-4-8-20(18)25/h2-14,26H,1H3,(H,27,28)
InChIKeyOIKSUVSYTAOEQV-UHFFFAOYSA-N
MW383.43 g/mol
LogP6.04
Rot. Bonds4

About 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole

3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole (PubChem CID 139757983) has the molecular formula C24H18FN3O and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
PubChem CID139757983
Molecular FormulaC24H18FN3O
Molecular Weight383.43 g/mol
Exact Mass383.14
IUPAC Name3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
SMILESCOc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H18FN3O/c1-29-16-12-10-15(11-13-16)22-23(19-14-26-21-9-5-3-6-17(19)21)28-24(27-22)18-7-2-4-8-20(18)25/h2-14,26H,1H3,(H,27,28)
InChIKeyOIKSUVSYTAOEQV-UHFFFAOYSA-N
XLogP6.04
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-[(4-methoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 16114404
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)octyl]acetamide
CID 24853793
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
7-(cyclopropylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538789
2,6-Bis(4-methoxyphenyl)purine
CID 11493677
2-(4-methoxyphenyl)-6-phenyl-9H-purine
CID 11536774
2-(5-methoxy-2-methyl-1H-indol-3-yl)-N-[(1S)-7-oxo-1-(5-phenyl-1H-imidazol-2-yl)nonyl]acetamide
CID 11700059
3-(3-Phenoxybenzyl)amino-|A-carboline
CID 56666556

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The IUPAC name of 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole (CID 139757983) is 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The canonical SMILES for 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole is COc1ccc(-c2nc(-c3ccccc3F)[nH]c2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
The InChIKey is OIKSUVSYTAOEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O/c1-29-16-12-10-15(11-13-16)22-23(19-14-26-21-9-5-3-6-17(19)21)28-24(27-22)18-7-2-4-8-20(18)25/h2-14,26H,1H3,(H,27,28).
What are the key properties of 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole?
3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole has a molecular weight of 383.43 g/mol, XLogP of 6.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole is sourced from PubChem (CID 139757983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).