2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole

C21H16Cl2N2 — CID 91201769

IUPAC2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole
SMILESCc1[nH]c(Cc2ccc(Cl)cc2Cl)nc1-c1cccc2ccccc12
InChIInChI=1S/C21H16Cl2N2/c1-13-21(18-8-4-6-14-5-2-3-7-17(14)18)25-20(24-13)11-15-9-10-16(22)12-19(15)23/h2-10,12H,11H2,1H3,(H,24,25)
InChIKeyHYGCMOMCNQZPJS-UHFFFAOYSA-N
MW367.28 g/mol
LogP6.44
Rot. Bonds3

About 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole

2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole (PubChem CID 91201769) has the molecular formula C21H16Cl2N2 and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole
PubChem CID91201769
Molecular FormulaC21H16Cl2N2
Molecular Weight367.28 g/mol
Exact Mass366.07
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole
SMILESCc1[nH]c(Cc2ccc(Cl)cc2Cl)nc1-c1cccc2ccccc12
InChIInChI=1S/C21H16Cl2N2/c1-13-21(18-8-4-6-14-5-2-3-7-17(14)18)25-20(24-13)11-15-9-10-16(22)12-19(15)23/h2-10,12H,11H2,1H3,(H,24,25)
InChIKeyHYGCMOMCNQZPJS-UHFFFAOYSA-N
XLogP6.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.28
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole (CID 91201769) is 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole is Cc1[nH]c(Cc2ccc(Cl)cc2Cl)nc1-c1cccc2ccccc12.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole?
The InChIKey is HYGCMOMCNQZPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N2/c1-13-21(18-8-4-6-14-5-2-3-7-17(14)18)25-20(24-13)11-15-9-10-16(22)12-19(15)23/h2-10,12H,11H2,1H3,(H,24,25).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole?
2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole has a molecular weight of 367.28 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-5-methyl-4-naphthalen-1-yl-1H-imidazole is sourced from PubChem (CID 91201769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).