1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde

C23H26Cl3N3O4 — CID 142342214

IUPAC1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde
SMILESC=O.C=O.CCc1nc(C(=O)NC)cn1-c1cc(Cl)cc(Cl)c1.COc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H13Cl2N3O.C8H9ClO.2CH2O/c1-3-12-17-11(13(19)16-2)7-18(12)10-5-8(14)4-9(15)6-10;1-6-5-7(10-2)3-4-8(6)9;2*1-2/h4-7H,3H2,1-2H3,(H,16,19);3-5H,1-2H3;2*1H2
InChIKeyBPVRDTJBDIZBHD-UHFFFAOYSA-N
MW514.84 g/mol
LogP5.39
Rot. Bonds4

About 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde

1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde (PubChem CID 142342214) has the molecular formula C23H26Cl3N3O4 and a molecular weight of 514.84 g/mol. Its IUPAC name is 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde.

Molecular Properties

Compound Name1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde
PubChem CID142342214
Molecular FormulaC23H26Cl3N3O4
Molecular Weight514.84 g/mol
Exact Mass513.10
IUPAC Name1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde
SMILESC=O.C=O.CCc1nc(C(=O)NC)cn1-c1cc(Cl)cc(Cl)c1.COc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H13Cl2N3O.C8H9ClO.2CH2O/c1-3-12-17-11(13(19)16-2)7-18(12)10-5-8(14)4-9(15)6-10;1-6-5-7(10-2)3-4-8(6)9;2*1-2/h4-7H,3H2,1-2H3,(H,16,19);3-5H,1-2H3;2*1H2
InChIKeyBPVRDTJBDIZBHD-UHFFFAOYSA-N
XLogP5.39
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.84
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-N-methyl-2-propan-2-ylimidazole-4-carboxamide;formaldehyde
CID 142342463
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-methoxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-propan-2-ylimidazole-4-carboxamide
CID 139453142
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde
CID 142342367
N-(2-chloro-5-propan-2-yloxyphenyl)sulfonyl-1-(3,5-dichlorophenyl)-2-methylimidazole-4-carboxamide
CID 139453081
[1-(4-chlorophenyl)-2-[(4-fluorophenyl)methyl]imidazol-4-yl]-(4-methoxyphenyl)methanone
CID 11281595
1-(2,4-dimethoxyphenyl)-2-methylimidazole-4-carboxylic acid
CID 82302613
1-(4-methoxyphenyl)-2-phenylimidazole-4-carboxylic acid
CID 82212229
methyl 5-amino-2-ethyl-1-(4-methoxy-2-methylphenyl)imidazole-4-carboxylate
CID 103545394
2-(4-chloro-3-methylphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53289156

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde?
The IUPAC name of 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde (CID 142342214) is 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde.
What is the SMILES notation for 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde?
The canonical SMILES for 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde is C=O.C=O.CCc1nc(C(=O)NC)cn1-c1cc(Cl)cc(Cl)c1.COc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde?
The InChIKey is BPVRDTJBDIZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O.C8H9ClO.2CH2O/c1-3-12-17-11(13(19)16-2)7-18(12)10-5-8(14)4-9(15)6-10;1-6-5-7(10-2)3-4-8(6)9;2*1-2/h4-7H,3H2,1-2H3,(H,16,19);3-5H,1-2H3;2*1H2.
What are the key properties of 1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde?
1-chloro-4-methoxy-2-methylbenzene;1-(3,5-dichlorophenyl)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde has a molecular weight of 514.84 g/mol, XLogP of 5.39, 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)-2-ethyl-N-methylimidazole-4-carboxamide;formaldehyde is sourced from PubChem (CID 142342214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).