N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide

C30H26N4O4 — CID 42826819

IUPACN-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C30H26N4O4/c1-37-25-16-14-23(15-17-25)29(36)33(19-26-13-8-18-38-26)21-28(35)32-30-31-27(22-9-4-2-5-10-22)20-34(30)24-11-6-3-7-12-24/h2-18,20H,19,21H2,1H3,(H,31,32,35)
InChIKeyCUWRSYRSGLQGGV-UHFFFAOYSA-N
MW506.56 g/mol
LogP5.42
Rot. Bonds9

About N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide

N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide (PubChem CID 42826819) has the molecular formula C30H26N4O4 and a molecular weight of 506.56 g/mol. Its IUPAC name is N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
PubChem CID42826819
Molecular FormulaC30H26N4O4
Molecular Weight506.56 g/mol
Exact Mass506.20
IUPAC NameN-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C30H26N4O4/c1-37-25-16-14-23(15-17-25)29(36)33(19-26-13-8-18-38-26)21-28(35)32-30-31-27(22-9-4-2-5-10-22)20-34(30)24-11-6-3-7-12-24/h2-18,20H,19,21H2,1H3,(H,31,32,35)
InChIKeyCUWRSYRSGLQGGV-UHFFFAOYSA-N
XLogP5.42
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.56
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42826365
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 46146420
2-[acetyl(furan-2-ylmethyl)amino]-N-[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830499
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
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42828506
4-methoxy-N-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 46144508
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42826814
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3,5-dimethoxybenzamide
CID 1060751
N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42826368
N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 42827197

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The IUPAC name of N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide (CID 42826819) is N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide.
What is the SMILES notation for N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The canonical SMILES for N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide is COc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide?
The InChIKey is CUWRSYRSGLQGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O4/c1-37-25-16-14-23(15-17-25)29(36)33(19-26-13-8-18-38-26)21-28(35)32-30-31-27(22-9-4-2-5-10-22)20-34(30)24-11-6-3-7-12-24/h2-18,20H,19,21H2,1H3,(H,31,32,35).
What are the key properties of N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide?
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide has a molecular weight of 506.56 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide is sourced from PubChem (CID 42826819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).