N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide

C29H32N4O3 — CID 46145530

IUPACN-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(Cc3ccco3)C(=O)CC(C)C)n2)cc1
InChIInChI=1S/C29H32N4O3/c1-20(2)16-28(35)32(17-25-6-5-15-36-25)19-27(34)31-29-30-26(23-11-7-21(3)8-12-23)18-33(29)24-13-9-22(4)10-14-24/h5-15,18,20H,16-17,19H2,1-4H3,(H,30,31,34)
InChIKeyNAVIXPMEPUHXBY-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.76
Rot. Bonds9

About N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide

N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide (PubChem CID 46145530) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
PubChem CID46145530
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC NameN-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
SMILESCc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(Cc3ccco3)C(=O)CC(C)C)n2)cc1
InChIInChI=1S/C29H32N4O3/c1-20(2)16-28(35)32(17-25-6-5-15-36-25)19-27(34)31-29-30-26(23-11-7-21(3)8-12-23)18-33(29)24-13-9-22(4)10-14-24/h5-15,18,20H,16-17,19H2,1-4H3,(H,30,31,34)
InChIKeyNAVIXPMEPUHXBY-UHFFFAOYSA-N
XLogP5.76
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 42828252
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 46145519
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 46145594
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-[2-[[1-(4-methylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)propanamide
CID 46144510
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 42826819
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42828506
N-[2-[[1-(3,4-dimethylphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)thiophene-2-carboxamide
CID 42827197
4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42826365
N-[2-(dimethylamino)ethyl]-N-[2-[[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 42826427
N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 46146411

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The IUPAC name of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide (CID 46145530) is N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide.
What is the SMILES notation for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The canonical SMILES for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide is Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(Cc3ccco3)C(=O)CC(C)C)n2)cc1.
What is the InChIKey of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide?
The InChIKey is NAVIXPMEPUHXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-20(2)16-28(35)32(17-25-6-5-15-36-25)19-27(34)31-29-30-26(23-11-7-21(3)8-12-23)18-33(29)24-13-9-22(4)10-14-24/h5-15,18,20H,16-17,19H2,1-4H3,(H,30,31,34).
What are the key properties of N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide?
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide has a molecular weight of 484.60 g/mol, XLogP of 5.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide is sourced from PubChem (CID 46145530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).