3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide

C23H25N3O2 — CID 66790742

IUPAC3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCC2CCc3ccccc3C2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H25N3O2/c1-16-14-26(15-25-16)21-10-9-20(12-22(21)28-2)23(27)24-13-17-7-8-18-5-3-4-6-19(18)11-17/h3-6,9-10,12,14-15,17H,7-8,11,13H2,1-2H3,(H,24,27)
InChIKeyKWSRCKPGUVVBKJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.72
Rot. Bonds5

About 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide

3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide (PubChem CID 66790742) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
PubChem CID66790742
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
SMILESCOc1cc(C(=O)NCC2CCc3ccccc3C2)ccc1-n1cnc(C)c1
InChIInChI=1S/C23H25N3O2/c1-16-14-26(15-25-16)21-10-9-20(12-22(21)28-2)23(27)24-13-17-7-8-18-5-3-4-6-19(18)11-17/h3-6,9-10,12,14-15,17H,7-8,11,13H2,1-2H3,(H,24,27)
InChIKeyKWSRCKPGUVVBKJ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)urea;2,2,2-trifluoroacetic acid
CID 68594242
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
5-methoxy-1-methyl-4-oxo-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)pyridine-2-carboxamide
CID 166268206
benzyl N-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]carbamate
CID 66618835
tert-butyl N-[[2-[[3-methoxy-4-(4-methylimidazol-1-yl)benzoyl]amino]acetyl]amino]carbamate
CID 66790958
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 66791237
3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66790975
2-[5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-1,2,4-triazol-3-yl]-1-methyl-3,4-dihydro-2H-quinoline
CID 66855895
N-[2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]butyl]-2,3-dihydro-1H-inden-1-amine
CID 66960763
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 46899094
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methylbut-3-enamide
CID 91032957
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 66791241

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide?
The IUPAC name of 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide (CID 66790742) is 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide?
The canonical SMILES for 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide is COc1cc(C(=O)NCC2CCc3ccccc3C2)ccc1-n1cnc(C)c1.
What is the InChIKey of 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide?
The InChIKey is KWSRCKPGUVVBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-14-26(15-25-16)21-10-9-20(12-22(21)28-2)23(27)24-13-17-7-8-18-5-3-4-6-19(18)11-17/h3-6,9-10,12,14-15,17H,7-8,11,13H2,1-2H3,(H,24,27).
What are the key properties of 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide?
3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide has a molecular weight of 375.47 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide is sourced from PubChem (CID 66790742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).