N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide

C32H33ClN4O6 — CID 98385589

About N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide

N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 98385589) has the molecular formula C32H33ClN4O6 and a molecular weight of 605.09 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 98385589
• Molecular Formula: C32H33ClN4O6
• Molecular Weight: 605.09 g/mol
• Exact Mass: 604.21
• IUPAC Name: N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• SMILES: COc1cccc(C(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(OC)c(OC)c2)C[C@H]2CCCO2)c1
• InChI: InChI=1S/C32H33ClN4O6/c1-40-25-7-4-6-22(16-25)31(39)36(18-26-8-5-15-43-26)20-30(38)35-32-34-27(21-9-11-23(33)12-10-21)19-37(32)24-13-14-28(41-2)29(17-24)42-3/h4,6-7,9-14,16-17,19,26H,5,8,15,18,20H2,1-3H3,(H,34,35,38)/t26-/m1/s1
• InChIKey: SLCADTLSPCHIAS-AREMUKBSSA-N
• XLogP: 5.48
• TPSA: 104.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.09
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 98385589) is N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide.

What is the SMILES notation for N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The canonical SMILES for N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide is COc1cccc(C(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(OC)c(OC)c2)C[C@H]2CCCO2)c1.

What is the InChIKey of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

The InChIKey is SLCADTLSPCHIAS-AREMUKBSSA-N. The full InChI is InChI=1S/C32H33ClN4O6/c1-40-25-7-4-6-22(16-25)31(39)36(18-26-8-5-15-43-26)20-30(38)35-32-34-27(21-9-11-23(33)12-10-21)19-37(32)24-13-14-28(41-2)29(17-24)42-3/h4,6-7,9-14,16-17,19,26H,5,8,15,18,20H2,1-3H3,(H,34,35,38)/t26-/m1/s1.

What are the key properties of N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide?

N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 605.09 g/mol, XLogP of 5.48, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 98385589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).