3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride

C24H19BrClN3O — CID 139758004

IUPAC3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride
SMILESCOc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2c[nH]c3ccccc23)cc1.Cl
InChIInChI=1S/C24H18BrN3O.ClH/c1-29-18-12-8-15(9-13-18)22-23(20-14-26-21-5-3-2-4-19(20)21)28-24(27-22)16-6-10-17(25)11-7-16;/h2-14,26H,1H3,(H,27,28);1H
InChIKeyDWVUKDJURHEGJA-UHFFFAOYSA-N
MW480.79 g/mol
LogP7.08
Rot. Bonds4

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

3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride (PubChem CID 139758004) has the molecular formula C24H19BrClN3O and a molecular weight of 480.79 g/mol. Its IUPAC name is 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride
PubChem CID139758004
Molecular FormulaC24H19BrClN3O
Molecular Weight480.79 g/mol
Exact Mass479.04
IUPAC Name3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride
SMILESCOc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2c[nH]c3ccccc23)cc1.Cl
InChIInChI=1S/C24H18BrN3O.ClH/c1-29-18-12-8-15(9-13-18)22-23(20-14-26-21-5-3-2-4-19(20)21)28-24(27-22)16-6-10-17(25)11-7-16;/h2-14,26H,1H3,(H,27,28);1H
InChIKeyDWVUKDJURHEGJA-UHFFFAOYSA-N
XLogP7.08
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.79
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
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
6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538770
7-heptyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538788
7-(cyclohexylmethyl)-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538790
(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-methoxy-benzamidine
CID 10094509
2-(4-Bromo-phenyl)-1-(4-methoxy-benzyl)-1H-imidazo[1,2-a]pyridin-4-ylium
CID 12005561

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride?
The IUPAC name of 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride (CID 139758004) is 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride.
What is the SMILES notation for 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride?
The canonical SMILES for 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride is COc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2c[nH]c3ccccc23)cc1.Cl.
What is the InChIKey of 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride?
The InChIKey is DWVUKDJURHEGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O.ClH/c1-29-18-12-8-15(9-13-18)22-23(20-14-26-21-5-3-2-4-19(20)21)28-24(27-22)16-6-10-17(25)11-7-16;/h2-14,26H,1H3,(H,27,28);1H.
What are the key properties of 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride?
3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride has a molecular weight of 480.79 g/mol, XLogP of 7.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-bromophenyl)-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole;hydrochloride is sourced from PubChem (CID 139758004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).