3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde

C18H15ClN2O2 — CID 15099328

IUPAC3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde
SMILESCOc1cccc(-c2nc(Cl)c(C=O)n2Cc2ccccc2)c1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-9-5-8-14(10-15)18-20-17(19)16(12-22)21(18)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3
InChIKeyWRDBACXIMSCSEU-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.07
Rot. Bonds5

About 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde

3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde (PubChem CID 15099328) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde
PubChem CID15099328
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde
SMILESCOc1cccc(-c2nc(Cl)c(C=O)n2Cc2ccccc2)c1
InChIInChI=1S/C18H15ClN2O2/c1-23-15-9-5-8-14(10-15)18-20-17(19)16(12-22)21(18)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3
InChIKeyWRDBACXIMSCSEU-UHFFFAOYSA-N
XLogP4.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazol-4-yl]acetonitrile
CID 15099395
(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid
CID 15099439
5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde
CID 15099341
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690
2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
CID 23025908
5-chloro-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 82342872
N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 86757706
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-7-carboxylic acid
CID 117251877
[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072444

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde?
The IUPAC name of 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde (CID 15099328) is 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde?
The canonical SMILES for 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde is COc1cccc(-c2nc(Cl)c(C=O)n2Cc2ccccc2)c1.
What is the InChIKey of 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde?
The InChIKey is WRDBACXIMSCSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-23-15-9-5-8-14(10-15)18-20-17(19)16(12-22)21(18)11-13-6-3-2-4-7-13/h2-10,12H,11H2,1H3.
What are the key properties of 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde?
3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde has a molecular weight of 326.78 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 15099328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).