N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

C30H26N4O3S — CID 42826368

IUPACN-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccccc3)C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C30H26N4O3S/c1-37-25-16-14-23(15-17-25)26-20-34(24-11-6-3-7-12-24)30(31-26)32-28(35)21-33(19-22-9-4-2-5-10-22)29(36)27-13-8-18-38-27/h2-18,20H,19,21H2,1H3,(H,31,32,35)
InChIKeyHXUPDIFAMRFQIP-UHFFFAOYSA-N
MW522.63 g/mol
LogP5.89
Rot. Bonds9

About N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 42826368) has the molecular formula C30H26N4O3S and a molecular weight of 522.63 g/mol. Its IUPAC name is N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID42826368
Molecular FormulaC30H26N4O3S
Molecular Weight522.63 g/mol
Exact Mass522.17
IUPAC NameN-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccccc3)C(=O)c3cccs3)n2)cc1
InChIInChI=1S/C30H26N4O3S/c1-37-25-16-14-23(15-17-25)26-20-34(24-11-6-3-7-12-24)30(31-26)32-28(35)21-33(19-22-9-4-2-5-10-22)29(36)27-13-8-18-38-27/h2-18,20H,19,21H2,1H3,(H,31,32,35)
InChIKeyHXUPDIFAMRFQIP-UHFFFAOYSA-N
XLogP5.89
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.63
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[2-[[1-(4-fluorophenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42828389
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 46146430
N-benzyl-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827140
N-benzyl-N-[2-[[1,4-bis(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-4-chlorobenzamide
CID 46146240
N-(2-methoxyethyl)-N-[2-[[4-(3-methoxyphenyl)-1-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827111
2-[acetyl(benzyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830534
N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 42826819
N-benzyl-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]propanamide
CID 42826827
N-benzyl-N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]propanamide
CID 42830547
N-[2-[[1-(3,4-dimethylphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylthiophene-2-carboxamide
CID 46146495
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539
4-fluoro-N-(furan-2-ylmethyl)-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]benzamide
CID 42826365

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 42826368) is N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is COc1ccc(-c2cn(-c3ccccc3)c(NC(=O)CN(Cc3ccccc3)C(=O)c3cccs3)n2)cc1.
What is the InChIKey of N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is HXUPDIFAMRFQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O3S/c1-37-25-16-14-23(15-17-25)26-20-34(24-11-6-3-7-12-24)30(31-26)32-28(35)21-33(19-22-9-4-2-5-10-22)29(36)27-13-8-18-38-27/h2-18,20H,19,21H2,1H3,(H,31,32,35).
What are the key properties of N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 522.63 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 42826368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).