3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide

C25H29N3O3 — CID 66791325

IUPAC3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(-n4cnc(C)c4)c(OC)c3)CCCC2)cc1
InChIInChI=1S/C25H29N3O3/c1-18-15-28(17-27-18)22-11-6-19(14-23(22)31-3)24(29)26-16-25(12-4-5-13-25)20-7-9-21(30-2)10-8-20/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H,26,29)
InChIKeyCJULKSFZVAGGKL-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.44
Rot. Bonds7

About 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide

3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 66791325) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
PubChem CID66791325
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1ccc(C2(CNC(=O)c3ccc(-n4cnc(C)c4)c(OC)c3)CCCC2)cc1
InChIInChI=1S/C25H29N3O3/c1-18-15-28(17-27-18)22-11-6-19(14-23(22)31-3)24(29)26-16-25(12-4-5-13-25)20-7-9-21(30-2)10-8-20/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H,26,29)
InChIKeyCJULKSFZVAGGKL-UHFFFAOYSA-N
XLogP4.44
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 66791241
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74244555
3-methoxy-4-(4-methylimidazol-1-yl)benzohydrazide;dihydrochloride
CID 66607849
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 74240891
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901459
3-(2-amino-2-oxoethoxy)-N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]benzamide
CID 47921805
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-4-(4-methylimidazol-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)benzamide
CID 66790742
3-methoxy-N-[2-(5-methyl-1,3-benzoxazol-2-yl)ethyl]-4-(4-methylimidazol-1-yl)benzamide
CID 66790975
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 46899094
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 127033831

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide (CID 66791325) is 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide is COc1ccc(C2(CNC(=O)c3ccc(-n4cnc(C)c4)c(OC)c3)CCCC2)cc1.
What is the InChIKey of 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is CJULKSFZVAGGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-18-15-28(17-27-18)22-11-6-19(14-23(22)31-3)24(29)26-16-25(12-4-5-13-25)20-7-9-21(30-2)10-8-20/h6-11,14-15,17H,4-5,12-13,16H2,1-3H3,(H,26,29).
What are the key properties of 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide?
3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 419.53 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 66791325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).