6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole

C24H17Cl2N3 — CID 25105771

IUPAC6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
SMILESClc1ccc(Cn2cnc(-c3ccccc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C24H17Cl2N3/c25-18-8-6-16(7-9-18)14-29-15-28-23(17-4-2-1-3-5-17)24(29)21-13-27-22-12-19(26)10-11-20(21)22/h1-13,15,27H,14H2
InChIKeyFNCHBNHNYWOHDO-UHFFFAOYSA-N
MW418.33 g/mol
LogP7.05
Rot. Bonds4

About 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole (PubChem CID 25105771) has the molecular formula C24H17Cl2N3 and a molecular weight of 418.33 g/mol. Its IUPAC name is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
PubChem CID25105771
Molecular FormulaC24H17Cl2N3
Molecular Weight418.33 g/mol
Exact Mass417.08
IUPAC Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
SMILESClc1ccc(Cn2cnc(-c3ccccc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C24H17Cl2N3/c25-18-8-6-16(7-9-18)14-29-15-28-23(17-4-2-1-3-5-17)24(29)21-13-27-22-12-19(26)10-11-20(21)22/h1-13,15,27H,14H2
InChIKeyFNCHBNHNYWOHDO-UHFFFAOYSA-N
XLogP7.05
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.33
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole?
The IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole (CID 25105771) is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole is Clc1ccc(Cn2cnc(-c3ccccc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole?
The InChIKey is FNCHBNHNYWOHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3/c25-18-8-6-16(7-9-18)14-29-15-28-23(17-4-2-1-3-5-17)24(29)21-13-27-22-12-19(26)10-11-20(21)22/h1-13,15,27H,14H2.
What are the key properties of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole?
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole has a molecular weight of 418.33 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole is sourced from PubChem (CID 25105771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).