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

C13H15N3O2 — CID 103511327

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C13H15N3O2/c1-16-9-14-7-12(16)13(18)15-6-10-3-2-4-11(5-10)8-17/h2-5,7,9,17H,6,8H2,1H3,(H,15,18)
InChIKeyOKMWWFFQQPISOV-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.84
Rot. Bonds4

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

N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide (PubChem CID 103511327) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide
PubChem CID103511327
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C13H15N3O2/c1-16-9-14-7-12(16)13(18)15-6-10-3-2-4-11(5-10)8-17/h2-5,7,9,17H,6,8H2,1H3,(H,15,18)
InChIKeyOKMWWFFQQPISOV-UHFFFAOYSA-N
XLogP0.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 63311485
N-[(4-carbamothioylphenyl)methyl]-3-methylimidazole-4-carboxamide
CID 103511000
N-[4-(hydroxymethyl)phenyl]-3-methylimidazole-4-carboxamide
CID 103511331
N-[[3-(hydroxymethyl)phenyl]methyl]-3,5-dimethylbenzamide
CID 63311041
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
3-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66483783
2-[[(3-methylimidazole-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103510660
N-[[3-(hydroxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55204470
3,4-dihydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103956150
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63311080
N-[[3-(aminomethyl)phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120501
2,6-dibromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 100695919

Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide (CID 103511327) is N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide is Cn1cncc1C(=O)NCc1cccc(CO)c1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide?
The InChIKey is OKMWWFFQQPISOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-16-9-14-7-12(16)13(18)15-6-10-3-2-4-11(5-10)8-17/h2-5,7,9,17H,6,8H2,1H3,(H,15,18).
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 103511327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).