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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Related Compounds

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole
CID 141221253
3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile
CID 25095690
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-2-carbonitrile
CID 66987515
3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole
CID 175076498
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 25097197
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
CID 25096705
2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 50960351
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50975114
6-chloro-3-[1-[(4-chlorophenyl)methyl]-4-phenylpyrazol-5-yl]-2-methyl-1H-indole
CID 137151084
3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1H-indole-6-carbonitrile
CID 25094617
4-(4-chlorophenyl)-1-[(3-phenylphenyl)methyl]-5-propylimidazole
CID 53312404

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).