4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide

C30H25FN4O4 — CID 42826365

IUPAC4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C30H25FN4O4/c1-38-25-15-11-21(12-16-25)27-19-35(24-6-3-2-4-7-24)30(32-27)33-28(36)20-34(18-26-8-5-17-39-26)29(37)22-9-13-23(31)14-10-22/h2-17,19H,18,20H2,1H3,(H,32,33,36)
InChIKeyJKHHPFCKKAEGOH-UHFFFAOYSA-N
MW524.55 g/mol
LogP5.56
Rot. Bonds9

About 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide

4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 42826365) has the molecular formula C30H25FN4O4 and a molecular weight of 524.55 g/mol. Its IUPAC name is 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID42826365
Molecular FormulaC30H25FN4O4
Molecular Weight524.55 g/mol
Exact Mass524.19
IUPAC Name4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C30H25FN4O4/c1-38-25-15-11-21(12-16-25)27-19-35(24-6-3-2-4-7-24)30(32-27)33-28(36)20-34(18-26-8-5-17-39-26)29(37)22-9-13-23(31)14-10-22/h2-17,19H,18,20H2,1H3,(H,32,33,36)
InChIKeyJKHHPFCKKAEGOH-UHFFFAOYSA-N
XLogP5.56
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 42826819
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 46146420
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42828506
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42828379
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830499
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 42828399
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145594
2-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 46146470
N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42828389
N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 98432331
4-methoxy-N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46144508

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide (CID 42826365) is 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide is COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is JKHHPFCKKAEGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN4O4/c1-38-25-15-11-21(12-16-25)27-19-35(24-6-3-2-4-7-24)30(32-27)33-28(36)20-34(18-26-8-5-17-39-26)29(37)22-9-13-23(31)14-10-22/h2-17,19H,18,20H2,1H3,(H,32,33,36).
What are the key properties of 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide?
4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 524.55 g/mol, XLogP of 5.56, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 42826365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).