3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole

C23H14BrCl2N3 — CID 11454519

IUPAC3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESClc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H14BrCl2N3/c24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14/h1-12,27H,(H,28,29)
InChIKeyBACISBGFCYUOST-UHFFFAOYSA-N
MW483.20 g/mol
LogP7.96
Rot. Bonds3

About 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole

3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (PubChem CID 11454519) has the molecular formula C23H14BrCl2N3 and a molecular weight of 483.20 g/mol. Its IUPAC name is 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
PubChem CID11454519
Molecular FormulaC23H14BrCl2N3
Molecular Weight483.20 g/mol
Exact Mass480.97
IUPAC Name3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
SMILESClc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H14BrCl2N3/c24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14/h1-12,27H,(H,28,29)
InChIKeyBACISBGFCYUOST-UHFFFAOYSA-N
XLogP7.96
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.20
LogP ≤ 57.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-3H-imidazo[4,5-c]quinoline
CID 10540663
Nortopsentin C
CID 456386
Nortopsentin B
CID 456387
Nortopsentin A
CID 179268
6-bromo-2-(1H-indol-3-yl)imidazo[1,2-a]pyridine
CID 4573919
3-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole
CID 11385393
6-Chloro-3-[3-(4-chloro-benzyl)-5-phenyl-3h-imidazol-4-yl]-1h-indole
CID 25105771
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-benzamidine
CID 44385652
5-bromo-3-(3-ethylimidazol-4-yl)-1H-indole
CID 138691316
5-bromo-3-(3-ethylimidazol-4-yl)-4-fluoro-1H-indole
CID 139488539
2-(5-bromo-1H-indol-3-yl)-1H-phenanthro(9,10-d)imidazole
CID 11851317
2-(1H-benzimidazol-2-yl)-3-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]prop-2-enenitrile
CID 2849770

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The IUPAC name of 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole (CID 11454519) is 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole.
What is the SMILES notation for 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The canonical SMILES for 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is Clc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
The InChIKey is BACISBGFCYUOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14BrCl2N3/c24-15-5-10-20-18(11-15)19(12-27-20)23-28-21(13-1-6-16(25)7-2-13)22(29-23)14-3-8-17(26)9-4-14/h1-12,27H,(H,28,29).
What are the key properties of 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole?
3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole has a molecular weight of 483.20 g/mol, XLogP of 7.96, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole is sourced from PubChem (CID 11454519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).