N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide

C29H28N4O3 — CID 46145515

IUPACN-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C29H28N4O3/c1-4-18-32(28(35)23-8-6-5-7-9-23)20-27(34)31-29-30-26(22-12-16-25(36-3)17-13-22)19-33(29)24-14-10-21(2)11-15-24/h4-17,19H,1,18,20H2,2-3H3,(H,30,31,34)
InChIKeyHNQYAADQLRSQHQ-UHFFFAOYSA-N
MW480.57 g/mol
LogP5.12
Rot. Bonds9

About N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide

N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide (PubChem CID 46145515) has the molecular formula C29H28N4O3 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
PubChem CID46145515
Molecular FormulaC29H28N4O3
Molecular Weight480.57 g/mol
Exact Mass480.22
IUPAC NameN-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccccc1
InChIInChI=1S/C29H28N4O3/c1-4-18-32(28(35)23-8-6-5-7-9-23)20-27(34)31-29-30-26(22-12-16-25(36-3)17-13-22)19-33(29)24-14-10-21(2)11-15-24/h4-17,19H,1,18,20H2,2-3H3,(H,30,31,34)
InChIKeyHNQYAADQLRSQHQ-UHFFFAOYSA-N
XLogP5.12
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.57
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide?
The IUPAC name of N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide (CID 46145515) is N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide?
The canonical SMILES for N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide is C=CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)cc1)C(=O)c1ccccc1.
What is the InChIKey of N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide?
The InChIKey is HNQYAADQLRSQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O3/c1-4-18-32(28(35)23-8-6-5-7-9-23)20-27(34)31-29-30-26(22-12-16-25(36-3)17-13-22)19-33(29)24-14-10-21(2)11-15-24/h4-17,19H,1,18,20H2,2-3H3,(H,30,31,34).
What are the key properties of N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide?
N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide has a molecular weight of 480.57 g/mol, XLogP of 5.12, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 46145515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).