2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide

C17H15N3O4 — CID 135487327

IUPAC2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1cnc(-c2ccc(O)cc2O)[nH]1
InChIInChI=1S/C17H15N3O4/c21-11-3-1-2-10(6-11)8-19-17(24)14-9-18-16(20-14)13-5-4-12(22)7-15(13)23/h1-7,9,21-23H,8H2,(H,18,20)(H,19,24)
InChIKeyMWEJXFFANGTWHG-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.12
Rot. Bonds4

About 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide

2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 135487327) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide
PubChem CID135487327
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1cccc(O)c1)c1cnc(-c2ccc(O)cc2O)[nH]1
InChIInChI=1S/C17H15N3O4/c21-11-3-1-2-10(6-11)8-19-17(24)14-9-18-16(20-14)13-5-4-12(22)7-15(13)23/h1-7,9,21-23H,8H2,(H,18,20)(H,19,24)
InChIKeyMWEJXFFANGTWHG-UHFFFAOYSA-N
XLogP2.12
TPSA118.47 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenyl)-N-[(3-chlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 11538367
3-(3-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)-1H-imidazol-5-yl]propan-1-one
CID 158045318
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
N-[(3-hydroxyphenyl)methyl]-1,2,4-triazine-3-carboxamide
CID 155734185
3-bromo-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 107519523
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
2-(4-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 47292141
N-[(3-hydroxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 47292096
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 136526673
4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide (CID 135487327) is 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide is O=C(NCc1cccc(O)c1)c1cnc(-c2ccc(O)cc2O)[nH]1.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is MWEJXFFANGTWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c21-11-3-1-2-10(6-11)8-19-17(24)14-9-18-16(20-14)13-5-4-12(22)7-15(13)23/h1-7,9,21-23H,8H2,(H,18,20)(H,19,24).
What are the key properties of 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide?
2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 135487327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).