2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C13H15N3O2 — CID 63237643

IUPAC2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nccn2C)c1O
InChIInChI=1S/C13H15N3O2/c1-9-4-3-5-10(12(9)17)13(18)15-8-11-14-6-7-16(11)2/h3-7,17H,8H2,1-2H3,(H,15,18)
InChIKeyKTMOFPPQIVUUOR-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.36
Rot. Bonds3

About 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 63237643) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID63237643
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1cccc(C(=O)NCc2nccn2C)c1O
InChIInChI=1S/C13H15N3O2/c1-9-4-3-5-10(12(9)17)13(18)15-8-11-14-6-7-16(11)2/h3-7,17H,8H2,1-2H3,(H,15,18)
InChIKeyKTMOFPPQIVUUOR-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 55168082
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
2-amino-3-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 110451079
2-(dimethylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110475162
N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63293605
4-fluoro-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113304577
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
2-hydroxy-3-methyl-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 86790778
2-[2-[(1-methylimidazol-2-yl)methylamino]-2-oxoethyl]benzoic acid
CID 104601555
5-methyl-4-[(1-methylimidazol-2-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 166284932
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 63237643) is 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cc1cccc(C(=O)NCc2nccn2C)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is KTMOFPPQIVUUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-4-3-5-10(12(9)17)13(18)15-8-11-14-6-7-16(11)2/h3-7,17H,8H2,1-2H3,(H,15,18).
What are the key properties of 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 245.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 63237643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).