2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde

C15H16Cl2N2O — CID 122477083

IUPAC2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde
SMILESCCCCc1nc(C=O)c(Cl)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N2O/c1-2-3-4-14-18-13(10-20)15(17)19(14)9-11-5-7-12(16)8-6-11/h5-8,10H,2-4,9H2,1H3
InChIKeyGLKYRDDXCUEYJB-UHFFFAOYSA-N
MW311.21 g/mol
LogP4.39
Rot. Bonds6

About 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde

2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde (PubChem CID 122477083) has the molecular formula C15H16Cl2N2O and a molecular weight of 311.21 g/mol. Its IUPAC name is 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde
PubChem CID122477083
Molecular FormulaC15H16Cl2N2O
Molecular Weight311.21 g/mol
Exact Mass310.06
IUPAC Name2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde
SMILESCCCCc1nc(C=O)c(Cl)n1Cc1ccc(Cl)cc1
InChIInChI=1S/C15H16Cl2N2O/c1-2-3-4-14-18-13(10-20)15(17)19(14)9-11-5-7-12(16)8-6-11/h5-8,10H,2-4,9H2,1H3
InChIKeyGLKYRDDXCUEYJB-UHFFFAOYSA-N
XLogP4.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.21
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-chlorophenyl)methyl]-2-pentylbenzimidazole
CID 4627166
2-butyl-3-[(4-methylphenyl)methyl]imidazole-4-carbaldehyde
CID 143948337
2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde
CID 122430872
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
5-[2-[4-[(2-butyl-4,5-dichloroimidazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 46781136
3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-4-[(4-nitrophenyl)methyl]-1,2,4-triazole
CID 10070562
methyl 2-[4-[[2-butyl-4-chloro-5-[(4-chlorophenyl)methyliminomethyl]imidazol-1-yl]methyl]phenyl]benzoate
CID 23661550
2-butyl-5-chloro-3-[[4-(2-trityltetrazol-5-yl)phenyl]methyl]imidazole-4-carbaldehyde
CID 10438327
4-[(2-butyl-6-chloroimidazo[4,5-b]pyridin-3-yl)methyl]aniline
CID 94758162
1-[2-butyl-3-[(4-chlorophenyl)methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]-3-(4-chlorophenyl)urea
CID 3212407
4-[(2-butylbenzimidazol-1-yl)methyl]aniline
CID 54524981
potassium 5-butyl-4-[2-(4-chlorophenyl)ethyl]-1,2,4-triazole-3-thiolate
CID 101438311

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde?
The IUPAC name of 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde (CID 122477083) is 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde?
The canonical SMILES for 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde is CCCCc1nc(C=O)c(Cl)n1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde?
The InChIKey is GLKYRDDXCUEYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O/c1-2-3-4-14-18-13(10-20)15(17)19(14)9-11-5-7-12(16)8-6-11/h5-8,10H,2-4,9H2,1H3.
What are the key properties of 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde?
2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde has a molecular weight of 311.21 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 122477083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).