methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate

C20H21ClN2O2 — CID 102406238

IUPACmethyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate
SMILESCOC(=O)C1(c2ccc(Cl)cc2)N=CN(Cc2ccccc2)C1(C)C
InChIInChI=1S/C20H21ClN2O2/c1-19(2)20(18(24)25-3,16-9-11-17(21)12-10-16)22-14-23(19)13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
InChIKeyUCPJCMMLEFTGQJ-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.03
Rot. Bonds4

About methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate

methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate (PubChem CID 102406238) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate
PubChem CID102406238
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Namemethyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate
SMILESCOC(=O)C1(c2ccc(Cl)cc2)N=CN(Cc2ccccc2)C1(C)C
InChIInChI=1S/C20H21ClN2O2/c1-19(2)20(18(24)25-3,16-9-11-17(21)12-10-16)22-14-23(19)13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
InChIKeyUCPJCMMLEFTGQJ-UHFFFAOYSA-N
XLogP4.03
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (4R,5R)-3-benzyl-4-(4-chlorophenyl)-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 42630201
ethyl (4R,5R)-3-[(4-chlorophenyl)methyl]-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 44591620
methyl (4S,5R)-4,5-bis(4-chlorophenyl)-3-(cyclopropylmethyl)-4H-imidazole-5-carboxylate
CID 90667277
methyl (4S,5R)-4-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-phenyl-4H-imidazole-5-carboxylate
CID 54766769
Methyl 1-(3-chloro-4-fluorobenzyl)-5,5-dimethyl-4-phenyl-4,5-dihydro-1h-imidazole-4-carboxylate
CID 135391635
methyl 5-[(4-chlorophenyl)methyl]-3-cyclohexyl-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-4H-imidazole-5-carboxylate
CID 23629884
methyl 5-[(4-chlorophenyl)methyl]-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-propyl-4H-imidazole-5-carboxylate
CID 23629937
methyl 3-butyl-5-[(4-chlorophenyl)methyl]-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-4H-imidazole-5-carboxylate
CID 23630000
methyl 5-[(4-chlorophenyl)methyl]-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-(2-phenylethyl)-4H-imidazole-5-carboxylate
CID 23630036
methyl 3-benzyl-5-[(4-chlorophenyl)methyl]-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-4H-imidazole-5-carboxylate
CID 23630108
methyl 4-(4-chloro-2-fluorophenyl)-3-(cyclopropylmethyl)-5-phenyl-4H-imidazole-5-carboxylate
CID 25094258
3-butyl-5-[(4-chlorophenyl)methyl]-4-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-4H-imidazole-5-carboxylic acid
CID 151820386

Frequently Asked Questions

What is the IUPAC name of methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate?
The IUPAC name of methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate (CID 102406238) is methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate.
What is the SMILES notation for methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate?
The canonical SMILES for methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate is COC(=O)C1(c2ccc(Cl)cc2)N=CN(Cc2ccccc2)C1(C)C.
What is the InChIKey of methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate?
The InChIKey is UCPJCMMLEFTGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-19(2)20(18(24)25-3,16-9-11-17(21)12-10-16)22-14-23(19)13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3.
What are the key properties of methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate?
methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate has a molecular weight of 356.85 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-benzyl-4-(4-chlorophenyl)-5,5-dimethylimidazole-4-carboxylate is sourced from PubChem (CID 102406238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).