2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide

C17H13Cl2N3O3 — CID 143249945

IUPAC2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(O)cc2)c1CO
InChIInChI=1S/C17H13Cl2N3O3/c18-9-1-6-12(13(19)7-9)17-21-15(16(20)25)14(8-23)22(17)10-2-4-11(24)5-3-10/h1-7,23-24H,8H2,(H2,20,25)
InChIKeyCWATWMKVZXXXFR-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.14
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide

2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide (PubChem CID 143249945) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide
PubChem CID143249945
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide
SMILESNC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(O)cc2)c1CO
InChIInChI=1S/C17H13Cl2N3O3/c18-9-1-6-12(13(19)7-9)17-21-15(16(20)25)14(8-23)22(17)10-2-4-11(24)5-3-10/h1-7,23-24H,8H2,(H2,20,25)
InChIKeyCWATWMKVZXXXFR-UHFFFAOYSA-N
XLogP3.14
TPSA101.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carboxylate
CID 59863038
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 159297926
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 24759220
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxylic acid
CID 59465506
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide
CID 58961385
1-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-2-methylpyrrole-3-carboxamide
CID 69057259
tert-butyl N-[(1R,2S)-2-[[2-(2,4-dichlorophenyl)-1-(4-hydroxyphenyl)-5-methylimidazole-4-carbonyl]amino]cyclohexyl]carbamate
CID 86625331
[4-[2-(2,4-dichlorophenyl)-4-[(4,4-difluorocyclohexyl)carbamoyl]-5-(hydroxymethyl)imidazol-1-yl]phenyl] 3,3,3-trifluoropropane-1-sulfonate
CID 11585509
[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone
CID 59232546
2-(2,4-dichlorophenyl)-1-(4-methylphenyl)-N-morpholin-4-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 91349772
4-[5-(2,5-dichlorophenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 142961507

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide (CID 143249945) is 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide is NC(=O)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(O)cc2)c1CO.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide?
The InChIKey is CWATWMKVZXXXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c18-9-1-6-12(13(19)7-9)17-21-15(16(20)25)14(8-23)22(17)10-2-4-11(24)5-3-10/h1-7,23-24H,8H2,(H2,20,25).
What are the key properties of 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide?
2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide has a molecular weight of 378.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide is sourced from PubChem (CID 143249945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).