N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide

C11H11N3O2 — CID 103511124

IUPACN-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H11N3O2/c1-14-7-12-6-10(14)11(16)13-8-3-2-4-9(15)5-8/h2-7,15H,1H3,(H,13,16)
InChIKeyNQDWRXNGTSETRF-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.38
Rot. Bonds2

About N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide

N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide (PubChem CID 103511124) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
PubChem CID103511124
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C11H11N3O2/c1-14-7-12-6-10(14)11(16)13-8-3-2-4-9(15)5-8/h2-7,15H,1H3,(H,13,16)
InChIKeyNQDWRXNGTSETRF-UHFFFAOYSA-N
XLogP1.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide (CID 103511124) is N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide?
The InChIKey is NQDWRXNGTSETRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-7-12-6-10(14)11(16)13-8-3-2-4-9(15)5-8/h2-7,15H,1H3,(H,13,16).
What are the key properties of N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide?
N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).