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

C31H31ClN4O5 — CID 98418796

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

N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide (PubChem CID 98418796) has the molecular formula C31H31ClN4O5 and a molecular weight of 575.07 g/mol. Its IUPAC name is N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)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-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
• PubChem CID: 98418796
• Molecular Formula: C31H31ClN4O5
• Molecular Weight: 575.07 g/mol
• Exact Mass: 574.20
• IUPAC Name: N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)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-c2cccc(OC)c2)C[C@H]2CCCO2)c1
• InChI: InChI=1S/C31H31ClN4O5/c1-39-25-8-3-6-22(16-25)30(38)35(18-27-10-5-15-41-27)20-29(37)34-31-33-28(21-11-13-23(32)14-12-21)19-36(31)24-7-4-9-26(17-24)40-2/h3-4,6-9,11-14,16-17,19,27H,5,10,15,18,20H2,1-2H3,(H,33,34,37)/t27-/m1/s1
• InChIKey: GLRMPHMPZMQLOC-HHHXNRCGSA-N
• XLogP: 5.47
• TPSA: 94.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.07
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)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-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide (CID 98418796) is N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)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-c2cccc(OC)c2)C[C@H]2CCCO2)c1.

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

The InChIKey is GLRMPHMPZMQLOC-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H31ClN4O5/c1-39-25-8-3-6-22(16-25)30(38)35(18-27-10-5-15-41-27)20-29(37)34-31-33-28(21-11-13-23(32)14-12-21)19-36(31)24-7-4-9-26(17-24)40-2/h3-4,6-9,11-14,16-17,19,27H,5,10,15,18,20H2,1-2H3,(H,33,34,37)/t27-/m1/s1.

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

N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide has a molecular weight of 575.07 g/mol, XLogP of 5.47, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 98418796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).