N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide

C23H25N3O2 — CID 46766625

IUPACN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)c1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C23H25N3O2/c1-16-24-12-13-26(16)15-17-6-8-18(9-7-17)23(27)25-22-5-3-4-19-14-20(28-2)10-11-21(19)22/h6-14,22H,3-5,15H2,1-2H3,(H,25,27)
InChIKeyRMYVLZUCYJWXLW-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.06
Rot. Bonds5

About N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide

N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 46766625) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID46766625
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCOc1ccc2c(c1)CCCC2NC(=O)c1ccc(Cn2ccnc2C)cc1
InChIInChI=1S/C23H25N3O2/c1-16-24-12-13-26(16)15-17-6-8-18(9-7-17)23(27)25-22-5-3-4-19-14-20(28-2)10-11-21(19)22/h6-14,22H,3-5,15H2,1-2H3,(H,25,27)
InChIKeyRMYVLZUCYJWXLW-UHFFFAOYSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-3-methylbenzamide
CID 133202152
3-(2-ethylimidazol-1-yl)-N-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 125176327
4-chloro-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 129365353
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 133251974
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzamide
CID 133200269
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72843548
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
4-[(ethylsulfonylamino)methyl]-N-[(1S)-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 166231657
4-[(2-methylimidazol-1-yl)methyl]-N-propan-2-ylbenzamide
CID 43918417
N-(4-cyclopentyloxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46775326
3-(dimethylsulfamoyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100626716
3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100749910

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 46766625) is N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is COc1ccc2c(c1)CCCC2NC(=O)c1ccc(Cn2ccnc2C)cc1.
What is the InChIKey of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is RMYVLZUCYJWXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-24-12-13-26(16)15-17-6-8-18(9-7-17)23(27)25-22-5-3-4-19-14-20(28-2)10-11-21(19)22/h6-14,22H,3-5,15H2,1-2H3,(H,25,27).
What are the key properties of N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 375.47 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 46766625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).