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

C25H17ClN4 — CID 25095690

IUPAC3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(-c3c(-c4ccccc4)ncn3Cc3ccc(Cl)cc3)c[nH]c2c1
InChIInChI=1S/C25H17ClN4/c26-20-9-6-17(7-10-20)15-30-16-29-24(19-4-2-1-3-5-19)25(30)22-14-28-23-12-18(13-27)8-11-21(22)23/h1-12,14,16,28H,15H2
InChIKeyUFAKDAZMXUXIIC-UHFFFAOYSA-N
MW408.89 g/mol
LogP6.27
Rot. Bonds4

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

3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile (PubChem CID 25095690) has the molecular formula C25H17ClN4 and a molecular weight of 408.89 g/mol. Its IUPAC name is 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile.

Molecular Properties

Compound Name3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile
PubChem CID25095690
Molecular FormulaC25H17ClN4
Molecular Weight408.89 g/mol
Exact Mass408.11
IUPAC Name3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile
SMILESN#Cc1ccc2c(-c3c(-c4ccccc4)ncn3Cc3ccc(Cl)cc3)c[nH]c2c1
InChIInChI=1S/C25H17ClN4/c26-20-9-6-17(7-10-20)15-30-16-29-24(19-4-2-1-3-5-19)25(30)22-14-28-23-12-18(13-27)8-11-21(22)23/h1-12,14,16,28H,15H2
InChIKeyUFAKDAZMXUXIIC-UHFFFAOYSA-N
XLogP6.27
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.89
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
CID 25105771
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole
CID 141221253
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
3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-1H-indole-6-carbonitrile
CID 25094617
6-(4-chlorophenyl)-2-(1H-indol-3-yl)-4-phenylpyridine-3-carbonitrile
CID 71482052
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 25097197
3-(3-chloropropyl)-1H-indole-6-carbonitrile
CID 57120485
4-[3-(2-imidazol-1-ylethyl)-5-phenylimidazol-4-yl]benzonitrile
CID 50952649
2-[3-[[4-(aminomethyl)phenyl]methyl]-5-phenylimidazol-4-yl]benzoic acid
CID 50960351
2-(1-benzyl-4-hydroxy-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carbonitrile
CID 135988762
1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile?
The IUPAC name of 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile (CID 25095690) is 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile.
What is the SMILES notation for 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile?
The canonical SMILES for 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile is N#Cc1ccc2c(-c3c(-c4ccccc4)ncn3Cc3ccc(Cl)cc3)c[nH]c2c1.
What is the InChIKey of 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile?
The InChIKey is UFAKDAZMXUXIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4/c26-20-9-6-17(7-10-20)15-30-16-29-24(19-4-2-1-3-5-19)25(30)22-14-28-23-12-18(13-27)8-11-21(22)23/h1-12,14,16,28H,15H2.
What are the key properties of 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile?
3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile has a molecular weight of 408.89 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile is sourced from PubChem (CID 25095690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).