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

C24H16Cl2FN3 — CID 141221253

IUPAC6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole
SMILESFc1ccc(-c2ncn(Cc3ccc(Cl)cc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C24H16Cl2FN3/c25-17-5-1-15(2-6-17)13-30-14-29-23(16-3-8-19(27)9-4-16)24(30)21-12-28-22-11-18(26)7-10-20(21)22/h1-12,14,28H,13H2
InChIKeyDQBCWNOOAZNXKV-UHFFFAOYSA-N
MW436.32 g/mol
LogP7.19
Rot. Bonds4

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

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole (PubChem CID 141221253) has the molecular formula C24H16Cl2FN3 and a molecular weight of 436.32 g/mol. Its IUPAC name is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole
PubChem CID141221253
Molecular FormulaC24H16Cl2FN3
Molecular Weight436.32 g/mol
Exact Mass435.07
IUPAC Name6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole
SMILESFc1ccc(-c2ncn(Cc3ccc(Cl)cc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1
InChIInChI=1S/C24H16Cl2FN3/c25-17-5-1-15(2-6-17)13-30-14-29-23(16-3-8-19(27)9-4-16)24(30)21-12-28-22-11-18(26)7-10-20(21)22/h1-12,14,28H,13H2
InChIKeyDQBCWNOOAZNXKV-UHFFFAOYSA-N
XLogP7.19
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.32
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole
CID 25105771
3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-1H-indole-6-carbonitrile
CID 25095690
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]-1H-indole-2-carbonitrile
CID 66987515
4-[6-[6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole-2-carbonyl]oxyhexylamino]-4-oxobutanoic acid
CID 126963310
3-[3-[(4-fluorophenyl)methyl]-5-phenylimidazol-4-yl]pyrazolo[1,5-a]pyrimidine
CID 50975114
2-[7-(6-chloro-1H-indol-3-yl)naphthalen-2-yl]-5-(4-chlorophenyl)-1,3-oxazole
CID 139215797
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-thiazole
CID 139552395
1-ethyl-4,5-bis(4-fluorophenyl)imidazole
CID 56925474
1-[(4-fluorophenyl)methyl]-6-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)benzimidazole
CID 122608876
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 25097197
4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552430

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole?
The IUPAC name of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole (CID 141221253) is 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole is Fc1ccc(-c2ncn(Cc3ccc(Cl)cc3)c2-c2c[nH]c3cc(Cl)ccc23)cc1.
What is the InChIKey of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole?
The InChIKey is DQBCWNOOAZNXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2FN3/c25-17-5-1-15(2-6-17)13-30-14-29-23(16-3-8-19(27)9-4-16)24(30)21-12-28-22-11-18(26)7-10-20(21)22/h1-12,14,28H,13H2.
What are the key properties of 6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole?
6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-(4-fluorophenyl)imidazol-4-yl]-1H-indole has a molecular weight of 436.32 g/mol, XLogP of 7.19, 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-(4-fluorophenyl)imidazol-4-yl]-1H-indole is sourced from PubChem (CID 141221253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).