N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide

C31H31N5O4 — CID 23649393

IUPACN-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C#N)cc2)C(C)C)cc1OC
InChIInChI=1S/C31H31N5O4/c1-21(2)35(30(38)17-23-12-15-27(39-3)28(16-23)40-4)20-29(37)34-31-33-26(24-8-6-5-7-9-24)19-36(31)25-13-10-22(18-32)11-14-25/h5-16,19,21H,17,20H2,1-4H3,(H,33,34,37)
InChIKeyOARGIVCKUMTPFK-UHFFFAOYSA-N
MW537.62 g/mol
LogP4.85
Rot. Bonds10

About N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide

N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide (PubChem CID 23649393) has the molecular formula C31H31N5O4 and a molecular weight of 537.62 g/mol. Its IUPAC name is N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
PubChem CID23649393
Molecular FormulaC31H31N5O4
Molecular Weight537.62 g/mol
Exact Mass537.24
IUPAC NameN-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide
SMILESCOc1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C#N)cc2)C(C)C)cc1OC
InChIInChI=1S/C31H31N5O4/c1-21(2)35(30(38)17-23-12-15-27(39-3)28(16-23)40-4)20-29(37)34-31-33-26(24-8-6-5-7-9-24)19-36(31)25-13-10-22(18-32)11-14-25/h5-16,19,21H,17,20H2,1-4H3,(H,33,34,37)
InChIKeyOARGIVCKUMTPFK-UHFFFAOYSA-N
XLogP4.85
TPSA109.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The IUPAC name of N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide (CID 23649393) is N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The canonical SMILES for N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide is COc1ccc(CC(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C#N)cc2)C(C)C)cc1OC.
What is the InChIKey of N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
The InChIKey is OARGIVCKUMTPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N5O4/c1-21(2)35(30(38)17-23-12-15-27(39-3)28(16-23)40-4)20-29(37)34-31-33-26(24-8-6-5-7-9-24)19-36(31)25-13-10-22(18-32)11-14-25/h5-16,19,21H,17,20H2,1-4H3,(H,33,34,37).
What are the key properties of N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide?
N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide has a molecular weight of 537.62 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-cyanophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-(3,4-dimethoxyphenyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 23649393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).