N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide

C18H17N3O2 — CID 1096852

IUPACN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3ccccc3)n2C)cc1
InChIInChI=1S/C18H17N3O2/c1-21-16(13-8-10-15(23-2)11-9-13)12-19-18(21)20-17(22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,22)
InChIKeyXHBUBAYINYIYGT-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.35
Rot. Bonds4

About N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide

N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide (PubChem CID 1096852) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
PubChem CID1096852
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
SMILESCOc1ccc(-c2cnc(NC(=O)c3ccccc3)n2C)cc1
InChIInChI=1S/C18H17N3O2/c1-21-16(13-8-10-15(23-2)11-9-13)12-19-18(21)20-17(22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,22)
InChIKeyXHBUBAYINYIYGT-UHFFFAOYSA-N
XLogP3.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 136545418
1-(2,4-dimethoxyphenyl)-3-(1-methyl-5-phenylimidazol-2-yl)urea
CID 22577919
N-[4-benzyl-5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methoxybenzamide
CID 126744189
5-(4-methoxyphenyl)-1-methyl-N-[(E)-3-phenylprop-2-enyl]imidazol-2-amine
CID 45147014
2-[5-benzamido-2-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetic acid
CID 10293083
N-[8-(4-methoxyphenyl)-9-methylpurin-6-yl]benzamide
CID 172597021
N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide
CID 3917768
2-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfonyl-N-phenylacetamide
CID 18572074
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-nitrobenzamide
CID 5008870
N-[1-ethyl-2-(4-methoxyphenyl)-6-oxopyrimidin-5-yl]benzamide
CID 142150656
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46951661
(5R)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51688209

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide (CID 1096852) is N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide is COc1ccc(-c2cnc(NC(=O)c3ccccc3)n2C)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide?
The InChIKey is XHBUBAYINYIYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-21-16(13-8-10-15(23-2)11-9-13)12-19-18(21)20-17(22)14-6-4-3-5-7-14/h3-12H,1-2H3,(H,19,20,22).
What are the key properties of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide?
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide is sourced from PubChem (CID 1096852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).