1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde

C24H28Cl3N3O4 — CID 142342463

IUPAC1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde
SMILESC=O.C=O.CNC(=O)c1cn(-c2cc(Cl)cc(Cl)c2)c(C(C)C)n1.COc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H15Cl2N3O.C8H9ClO.2CH2O/c1-8(2)13-18-12(14(20)17-3)7-19(13)11-5-9(15)4-10(16)6-11;1-6-5-7(10-2)3-4-8(6)9;2*1-2/h4-8H,1-3H3,(H,17,20);3-5H,1-2H3;2*1H2
InChIKeyIDORCTKSDNPKJK-UHFFFAOYSA-N
MW528.86 g/mol
LogP5.95
Rot. Bonds4

About 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde

1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde (PubChem CID 142342463) has the molecular formula C24H28Cl3N3O4 and a molecular weight of 528.86 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde
PubChem CID142342463
Molecular FormulaC24H28Cl3N3O4
Molecular Weight528.86 g/mol
Exact Mass527.11
IUPAC Name1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde
SMILESC=O.C=O.CNC(=O)c1cn(-c2cc(Cl)cc(Cl)c2)c(C(C)C)n1.COc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H15Cl2N3O.C8H9ClO.2CH2O/c1-8(2)13-18-12(14(20)17-3)7-19(13)11-5-9(15)4-10(16)6-11;1-6-5-7(10-2)3-4-8(6)9;2*1-2/h4-8H,1-3H3,(H,17,20);3-5H,1-2H3;2*1H2
InChIKeyIDORCTKSDNPKJK-UHFFFAOYSA-N
XLogP5.95
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.86
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde
CID 142342214
N-(2-chloro-5-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
1-chloro-4-methoxy-2-methylbenzene;1-[3-(1,1-difluoroethyl)-5-fluorophenyl]-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde;methoxymethane
CID 142342376
N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
CID 139453081
6-methoxy-N-methyl-4-propan-2-ylquinoline-2-carboxamide
CID 167327578
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde
CID 142342367
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
CID 82302613
dimethyl 2-(4-chloro-3-methylphenoxy)propanedioate
CID 94697757
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]-4-methoxy-N-methylbenzamide
CID 87025364
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde?
The IUPAC name of 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde (CID 142342463) is 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde.
What is the SMILES notation for 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde?
The canonical SMILES for 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde is C=O.C=O.CNC(=O)c1cn(-c2cc(Cl)cc(Cl)c2)c(C(C)C)n1.COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde?
The InChIKey is IDORCTKSDNPKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O.C8H9ClO.2CH2O/c1-8(2)13-18-12(14(20)17-3)7-19(13)11-5-9(15)4-10(16)6-11;1-6-5-7(10-2)3-4-8(6)9;2*1-2/h4-8H,1-3H3,(H,17,20);3-5H,1-2H3;2*1H2.
What are the key properties of 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde?
1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde has a molecular weight of 528.86 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde is sourced from PubChem (CID 142342463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).