5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole

C13H9Cl2N3 — CID 150674628

IUPAC5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole
SMILESClc1cccc(Cl)c1-c1cnc(-c2ccc[nH]2)[nH]1
InChIInChI=1S/C13H9Cl2N3/c14-8-3-1-4-9(15)12(8)11-7-17-13(18-11)10-5-2-6-16-10/h1-7,16H,(H,17,18)
InChIKeyJGPKGZYSGBZXCQ-UHFFFAOYSA-N
MW278.14 g/mol
LogP4.38
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole

5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole (PubChem CID 150674628) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole
PubChem CID150674628
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole
SMILESClc1cccc(Cl)c1-c1cnc(-c2ccc[nH]2)[nH]1
InChIInChI=1S/C13H9Cl2N3/c14-8-3-1-4-9(15)12(8)11-7-17-13(18-11)10-5-2-6-16-10/h1-7,16H,(H,17,18)
InChIKeyJGPKGZYSGBZXCQ-UHFFFAOYSA-N
XLogP4.38
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole?
The IUPAC name of 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole (CID 150674628) is 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole is Clc1cccc(Cl)c1-c1cnc(-c2ccc[nH]2)[nH]1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole?
The InChIKey is JGPKGZYSGBZXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c14-8-3-1-4-9(15)12(8)11-7-17-13(18-11)10-5-2-6-16-10/h1-7,16H,(H,17,18).
What are the key properties of 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole?
5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole has a molecular weight of 278.14 g/mol, XLogP of 4.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole is sourced from PubChem (CID 150674628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).