4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole

C22H24Cl2N2 — CID 139695554

IUPAC4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole
SMILESCc1[nH]c(CCCCCc2ccccc2)nc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl2N2/c1-16-21(15-18-12-13-19(23)20(24)14-18)26-22(25-16)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-14H,3,6-7,10-11,15H2,1H3,(H,25,26)
InChIKeyNQEXRIHUHYRZNW-UHFFFAOYSA-N
MW387.35 g/mol
LogP6.57
Rot. Bonds8

About 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole

4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole (PubChem CID 139695554) has the molecular formula C22H24Cl2N2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole
PubChem CID139695554
Molecular FormulaC22H24Cl2N2
Molecular Weight387.35 g/mol
Exact Mass386.13
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole
SMILESCc1[nH]c(CCCCCc2ccccc2)nc1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C22H24Cl2N2/c1-16-21(15-18-12-13-19(23)20(24)14-18)26-22(25-16)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-14H,3,6-7,10-11,15H2,1H3,(H,25,26)
InChIKeyNQEXRIHUHYRZNW-UHFFFAOYSA-N
XLogP6.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.35
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-5-methyl-2-(5-naphthalen-1-ylpentyl)-1H-imidazole
CID 139695481
5-[(3,4-dichlorophenyl)methyl]-2-(3-phenylpropyl)-1H-imidazole
CID 139695560
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
2-(10-phenyldecyl)-1H-benzimidazole
CID 53277780
6-(3,4-dichlorophenyl)-N-methylhexan-1-amine
CID 65308866
8-[(3,4-dichlorophenyl)methyl]-7H-purine
CID 114402573
4-benzyl-2-[(2,6-dichlorophenyl)methylsulfanyl]-5-methyl-1H-imidazole
CID 7250899
6-chloro-2-[(3,4-dichlorophenyl)methyl]-1H-benzimidazole
CID 60648883
1,2-dimethyl-4-(6-phenylhexyl)benzene
CID 123294821
2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82294163
5-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)-1H-imidazole
CID 139695517

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole (CID 139695554) is 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole is Cc1[nH]c(CCCCCc2ccccc2)nc1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole?
The InChIKey is NQEXRIHUHYRZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2/c1-16-21(15-18-12-13-19(23)20(24)14-18)26-22(25-16)11-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,12-14H,3,6-7,10-11,15H2,1H3,(H,25,26).
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole?
4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole has a molecular weight of 387.35 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-5-methyl-2-(5-phenylpentyl)-1H-imidazole is sourced from PubChem (CID 139695554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).