4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide

C13H15N3O2 — CID 113341404

IUPAC4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H15N3O2/c1-9-7-10(17)3-4-11(9)13(18)16(2)8-12-14-5-6-15-12/h3-7,17H,8H2,1-2H3,(H,14,15)
InChIKeyIPRHRJWGZVJBHO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.70
Rot. Bonds3

About 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide

4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide (PubChem CID 113341404) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
PubChem CID113341404
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide
SMILESCc1cc(O)ccc1C(=O)N(C)Cc1ncc[nH]1
InChIInChI=1S/C13H15N3O2/c1-9-7-10(17)3-4-11(9)13(18)16(2)8-12-14-5-6-15-12/h3-7,17H,8H2,1-2H3,(H,14,15)
InChIKeyIPRHRJWGZVJBHO-UHFFFAOYSA-N
XLogP1.70
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,5-dimethylbenzamide
CID 63929949
2-chloro-N-(1H-imidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 106509738
N-(1H-imidazol-2-ylmethyl)-N,2,3-trimethylbenzamide
CID 63930376
4-bromo-2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 63940212
2-amino-4-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64510774
4-[1H-imidazol-2-ylmethyl(methyl)carbamoyl]benzoic acid
CID 64519669
4-amino-N-(1H-imidazol-2-ylmethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81245737
N-(1H-imidazol-2-ylmethyl)-N-methylnaphthalene-1-carboxamide
CID 63928694
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylbenzamide
CID 64516996
3-chloro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 66484932
N-(1H-imidazol-2-ylmethyl)-N-methyl-4-propylbenzamide
CID 56740870
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CID 63939451

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide?
The IUPAC name of 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide (CID 113341404) is 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide?
The canonical SMILES for 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide is Cc1cc(O)ccc1C(=O)N(C)Cc1ncc[nH]1.
What is the InChIKey of 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide?
The InChIKey is IPRHRJWGZVJBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-10(17)3-4-11(9)13(18)16(2)8-12-14-5-6-15-12/h3-7,17H,8H2,1-2H3,(H,14,15).
What are the key properties of 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide?
4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide has a molecular weight of 245.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1H-imidazol-2-ylmethyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 113341404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).