2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide

C29H33N5O4 — CID 46145594

IUPAC2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(Cc3ccco3)C(=O)NC(C)(C)C)n2)cc1
InChIInChI=1S/C29H33N5O4/c1-20-8-12-22(13-9-20)34-18-25(21-10-14-23(37-5)15-11-21)30-27(34)31-26(35)19-33(17-24-7-6-16-38-24)28(36)32-29(2,3)4/h6-16,18H,17,19H2,1-5H3,(H,32,36)(H,30,31,35)
InChIKeyNELHXYUSEOTNHJ-UHFFFAOYSA-N
MW515.61 g/mol
LogP5.40
Rot. Bonds8

About 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide

2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide (PubChem CID 46145594) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
PubChem CID46145594
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC Name2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
SMILESCOc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(Cc3ccco3)C(=O)NC(C)(C)C)n2)cc1
InChIInChI=1S/C29H33N5O4/c1-20-8-12-22(13-9-20)34-18-25(21-10-14-23(37-5)15-11-21)30-27(34)31-26(35)19-33(17-24-7-6-16-38-24)28(36)32-29(2,3)4/h6-16,18H,17,19H2,1-5H3,(H,32,36)(H,30,31,35)
InChIKeyNELHXYUSEOTNHJ-UHFFFAOYSA-N
XLogP5.40
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.61
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42828506
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-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 42826819
N-[2-[[1,4-bis(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 46145530
4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42826365
N-[1,4-bis(4-methoxyphenyl)imidazol-2-yl]-2-[tert-butylcarbamoyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 93153743
N-[2-[[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(furan-2-ylmethyl)cyclopropanecarboxamide
CID 42828252
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-[acetyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide
CID 42828098
N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
CID 42829783
N-ethyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-methylbenzamide
CID 42828399

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide?
The IUPAC name of 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide (CID 46145594) is 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide.
What is the SMILES notation for 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide?
The canonical SMILES for 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide is COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(Cc3ccco3)C(=O)NC(C)(C)C)n2)cc1.
What is the InChIKey of 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide?
The InChIKey is NELHXYUSEOTNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c1-20-8-12-22(13-9-20)34-18-25(21-10-14-23(37-5)15-11-21)30-27(34)31-26(35)19-33(17-24-7-6-16-38-24)28(36)32-29(2,3)4/h6-16,18H,17,19H2,1-5H3,(H,32,36)(H,30,31,35).
What are the key properties of 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide?
2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide has a molecular weight of 515.61 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylcarbamoyl(furan-2-ylmethyl)amino]-N-[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]acetamide is sourced from PubChem (CID 46145594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).