1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole

C24H17Cl2N3 — CID 155544140

IUPAC1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole
SMILESClc1ccc(C(c2c[nH]cc2-c2ccc3ccccc3c2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C24H17Cl2N3/c25-19-7-8-20(23(26)12-19)24(29-10-9-27-15-29)22-14-28-13-21(22)18-6-5-16-3-1-2-4-17(16)11-18/h1-15,24,28H
InChIKeyZABWFZXICLSWBV-UHFFFAOYSA-N
MW418.33 g/mol
LogP6.98
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole

1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole (PubChem CID 155544140) has the molecular formula C24H17Cl2N3 and a molecular weight of 418.33 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole
PubChem CID155544140
Molecular FormulaC24H17Cl2N3
Molecular Weight418.33 g/mol
Exact Mass417.08
IUPAC Name1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole
SMILESClc1ccc(C(c2c[nH]cc2-c2ccc3ccccc3c2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C24H17Cl2N3/c25-19-7-8-20(23(26)12-19)24(29-10-9-27-15-29)22-14-28-13-21(22)18-6-5-16-3-1-2-4-17(16)11-18/h1-15,24,28H
InChIKeyZABWFZXICLSWBV-UHFFFAOYSA-N
XLogP6.98
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 ≤ 56.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole?
The IUPAC name of 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole (CID 155544140) is 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole?
The canonical SMILES for 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole is Clc1ccc(C(c2c[nH]cc2-c2ccc3ccccc3c2)n2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole?
The InChIKey is ZABWFZXICLSWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3/c25-19-7-8-20(23(26)12-19)24(29-10-9-27-15-29)22-14-28-13-21(22)18-6-5-16-3-1-2-4-17(16)11-18/h1-15,24,28H.
What are the key properties of 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole?
1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole has a molecular weight of 418.33 g/mol, XLogP of 6.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)-(4-naphthalen-2-yl-1H-pyrrol-3-yl)methyl]imidazole is sourced from PubChem (CID 155544140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).