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

C18H13Cl2N3 — CID 175076498

IUPAC3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole
SMILESClc1ccc(Cn2cnc(Cl)c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H13Cl2N3/c19-13-7-5-12(6-8-13)10-23-11-22-18(20)17(23)15-9-21-16-4-2-1-3-14(15)16/h1-9,11,21H,10H2
InChIKeyRPAZFWBLWRGFGG-UHFFFAOYSA-N
MW342.23 g/mol
LogP5.39
Rot. Bonds3

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

3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole (PubChem CID 175076498) has the molecular formula C18H13Cl2N3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole
PubChem CID175076498
Molecular FormulaC18H13Cl2N3
Molecular Weight342.23 g/mol
Exact Mass341.05
IUPAC Name3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole
SMILESClc1ccc(Cn2cnc(Cl)c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C18H13Cl2N3/c19-13-7-5-12(6-8-13)10-23-11-22-18(20)17(23)15-9-21-16-4-2-1-3-14(15)16/h1-9,11,21H,10H2
InChIKeyRPAZFWBLWRGFGG-UHFFFAOYSA-N
XLogP5.39
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.23
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole?
The IUPAC name of 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole (CID 175076498) is 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole.
What is the SMILES notation for 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole?
The canonical SMILES for 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole is Clc1ccc(Cn2cnc(Cl)c2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole?
The InChIKey is RPAZFWBLWRGFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3/c19-13-7-5-12(6-8-13)10-23-11-22-18(20)17(23)15-9-21-16-4-2-1-3-14(15)16/h1-9,11,21H,10H2.
What are the key properties of 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole?
3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole has a molecular weight of 342.23 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-3-[(4-chlorophenyl)methyl]imidazol-4-yl]-1H-indole is sourced from PubChem (CID 175076498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).