N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide

C12H13N3O2 — CID 103511331

IUPACN-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C12H13N3O2/c1-15-8-13-6-11(15)12(17)14-10-4-2-9(7-16)3-5-10/h2-6,8,16H,7H2,1H3,(H,14,17)
InChIKeyDXKHYHMOOPKKNM-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.16
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide

N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide (PubChem CID 103511331) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide
PubChem CID103511331
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1ccc(CO)cc1
InChIInChI=1S/C12H13N3O2/c1-15-8-13-6-11(15)12(17)14-10-4-2-9(7-16)3-5-10/h2-6,8,16H,7H2,1H3,(H,14,17)
InChIKeyDXKHYHMOOPKKNM-UHFFFAOYSA-N
XLogP1.16
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide (CID 103511331) is N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)Nc1ccc(CO)cc1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is DXKHYHMOOPKKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-15-8-13-6-11(15)12(17)14-10-4-2-9(7-16)3-5-10/h2-6,8,16H,7H2,1H3,(H,14,17).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide?
N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).