2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide

C29H27N5O2 — CID 70313812

IUPAC2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C29H27N5O2/c1-21(2)33(28(36)17-22-13-15-23(18-30)16-14-22)20-27(35)32-29-31-26(24-9-5-3-6-10-24)19-34(29)25-11-7-4-8-12-25/h3-16,19,21H,17,20H2,1-2H3,(H,31,32,35)
InChIKeyMVAIEYFHONVARX-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.83
Rot. Bonds8

About 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide

2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide (PubChem CID 70313812) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
PubChem CID70313812
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide
SMILESCC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C29H27N5O2/c1-21(2)33(28(36)17-22-13-15-23(18-30)16-14-22)20-27(35)32-29-31-26(24-9-5-3-6-10-24)19-34(29)25-11-7-4-8-12-25/h3-16,19,21H,17,20H2,1-2H3,(H,31,32,35)
InChIKeyMVAIEYFHONVARX-UHFFFAOYSA-N
XLogP4.83
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide (CID 70313812) is 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide is CC(C)N(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccccc1)C(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
The InChIKey is MVAIEYFHONVARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c1-21(2)33(28(36)17-22-13-15-23(18-30)16-14-22)20-27(35)32-29-31-26(24-9-5-3-6-10-24)19-34(29)25-11-7-4-8-12-25/h3-16,19,21H,17,20H2,1-2H3,(H,31,32,35).
What are the key properties of 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide?
2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide has a molecular weight of 477.57 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-[2-[(1,4-diphenylimidazol-2-yl)amino]-2-oxoethyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 70313812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).