N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide

C18H17N3O3 — CID 110726514

IUPACN-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-14-4-3-5-15(24-2)16(14)18(22)21-13-8-6-12(7-9-13)17-19-10-11-20-17/h3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyRVWGQXOVKOYIAU-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.35
Rot. Bonds5

About N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide

N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide (PubChem CID 110726514) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
PubChem CID110726514
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C18H17N3O3/c1-23-14-4-3-5-15(24-2)16(14)18(22)21-13-8-6-12(7-9-13)17-19-10-11-20-17/h3-11H,1-2H3,(H,19,20)(H,21,22)
InChIKeyRVWGQXOVKOYIAU-UHFFFAOYSA-N
XLogP3.35
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(1H-imidazol-2-yl)phenyl]carbamoyl]benzoic acid
CID 90451425
N-[4-(1H-imidazol-2-yl)phenyl]-1-methyltriazole-4-carboxamide
CID 110471590
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720193
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
CID 110470252
N-[4-(1H-imidazol-2-yl)phenyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 60613400
N-(6-bromo-3-pyridinyl)-2,6-dimethoxybenzamide
CID 110605077
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
CID 60613262
3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 76879130
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 60613245

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide (CID 110726514) is N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide?
The InChIKey is RVWGQXOVKOYIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-23-14-4-3-5-15(24-2)16(14)18(22)21-13-8-6-12(7-9-13)17-19-10-11-20-17/h3-11H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide?
N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide has a molecular weight of 323.35 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-yl)phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 110726514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).