4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide

C18H17N3O2 — CID 31533303

IUPAC4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-17-8-2-14(3-9-17)12-20-18(22)15-4-6-16(7-5-15)21-11-10-19-13-21/h2-11,13H,12H2,1H3,(H,20,22)
InChIKeyOIRWCNYLBDXIMK-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.81
Rot. Bonds5

About 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide

4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 31533303) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID31533303
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C18H17N3O2/c1-23-17-8-2-14(3-9-17)12-20-18(22)15-4-6-16(7-5-15)21-11-10-19-13-21/h2-11,13H,12H2,1H3,(H,20,22)
InChIKeyOIRWCNYLBDXIMK-UHFFFAOYSA-N
XLogP2.81
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86850598
(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92675033
4-(azepan-1-yl)-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 167851793
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 48994302
N-[(4-imidazol-1-ylphenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 56820271
N-[(4-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 92680753
4-imidazol-1-yl-N-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 44589177
N-[(4-imidazol-1-ylphenyl)methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60593455
methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
CID 42431459
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
CID 41200443

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide (CID 31533303) is 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is OIRWCNYLBDXIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-17-8-2-14(3-9-17)12-20-18(22)15-4-6-16(7-5-15)21-11-10-19-13-21/h2-11,13H,12H2,1H3,(H,20,22).
What are the key properties of 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide?
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 31533303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).