2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

C14H17N3O2 — CID 60717766

IUPAC2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(C)Cc2nccn2C)c(O)c1
InChIInChI=1S/C14H17N3O2/c1-10-4-5-11(12(18)8-10)14(19)17(3)9-13-15-6-7-16(13)2/h4-8,18H,9H2,1-3H3
InChIKeyILPPGYCDMYEDPC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.71
Rot. Bonds3

About 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide

2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 60717766) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID60717766
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
SMILESCc1ccc(C(=O)N(C)Cc2nccn2C)c(O)c1
InChIInChI=1S/C14H17N3O2/c1-10-4-5-11(12(18)8-10)14(19)17(3)9-13-15-6-7-16(13)2/h4-8,18H,9H2,1-3H3
InChIKeyILPPGYCDMYEDPC-UHFFFAOYSA-N
XLogP1.71
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62514005
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793
4-bromo-2-fluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47120153
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 38341813
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
N-methyl-4-(methylamino)-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81241836
3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61115484
3-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103979664

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide (CID 60717766) is 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is Cc1ccc(C(=O)N(C)Cc2nccn2C)c(O)c1.
What is the InChIKey of 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is ILPPGYCDMYEDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-4-5-11(12(18)8-10)14(19)17(3)9-13-15-6-7-16(13)2/h4-8,18H,9H2,1-3H3.
What are the key properties of 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide?
2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 259.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 60717766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).