1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde

C21H23Cl2N3O3 — CID 142342367

IUPAC1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde
SMILESC=O.C=O.CNC(=O)c1cn(-c2ccccc2)c(C)n1.Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H13N3O.C7H6Cl2.2CH2O/c1-9-14-11(12(16)13-2)8-15(9)10-6-4-3-5-7-10;1-5-6(8)3-2-4-7(5)9;2*1-2/h3-8H,1-2H3,(H,13,16);2-4H,1H3;2*1H2
InChIKeySUMRJEVRGLERKB-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.47
Rot. Bonds2

About 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde

1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde (PubChem CID 142342367) has the molecular formula C21H23Cl2N3O3 and a molecular weight of 436.34 g/mol. Its IUPAC name is 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde.

Molecular Properties

Compound Name1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde
PubChem CID142342367
Molecular FormulaC21H23Cl2N3O3
Molecular Weight436.34 g/mol
Exact Mass435.11
IUPAC Name1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde
SMILESC=O.C=O.CNC(=O)c1cn(-c2ccccc2)c(C)n1.Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H13N3O.C7H6Cl2.2CH2O/c1-9-14-11(12(16)13-2)8-15(9)10-6-4-3-5-7-10;1-5-6(8)3-2-4-7(5)9;2*1-2/h3-8H,1-2H3,(H,13,16);2-4H,1H3;2*1H2
InChIKeySUMRJEVRGLERKB-UHFFFAOYSA-N
XLogP4.47
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde?
The IUPAC name of 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde (CID 142342367) is 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde.
What is the SMILES notation for 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde?
The canonical SMILES for 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde is C=O.C=O.CNC(=O)c1cn(-c2ccccc2)c(C)n1.Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde?
The InChIKey is SUMRJEVRGLERKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.C7H6Cl2.2CH2O/c1-9-14-11(12(16)13-2)8-15(9)10-6-4-3-5-7-10;1-5-6(8)3-2-4-7(5)9;2*1-2/h3-8H,1-2H3,(H,13,16);2-4H,1H3;2*1H2.
What are the key properties of 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde?
1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde has a molecular weight of 436.34 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-methylbenzene;N,2-dimethyl-1-phenylimidazole-4-carboxamide;formaldehyde is sourced from PubChem (CID 142342367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).