N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

C56H80N10O3 — CID 90867704

About N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide

N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (PubChem CID 90867704) has the molecular formula C56H80N10O3 and a molecular weight of 941.32 g/mol. Its IUPAC name is N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
• PubChem CID: 90867704
• Molecular Formula: C56H80N10O3
• Molecular Weight: 941.32 g/mol
• Exact Mass: 940.64
• IUPAC Name: N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide
• SMILES: CC(=O)N1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.CCN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1
• InChI: InChI=1S/C28H39N5O2.C28H41N5O/c1-19-18-29-25(30-19)26(35)31-24-8-7-22(17-23(24)21-9-11-27(3,4)12-10-21)28(5,6)33-15-13-32(14-16-33)20(2)34;1-7-32-14-16-33(17-15-32)28(5,6)22-8-9-24(31-26(34)25-29-19-20(2)30-25)23(18-22)21-10-12-27(3,4)13-11-21/h7-9,17-18H,10-16H2,1-6H3,(H,29,30)(H,31,35);8-10,18-19H,7,11-17H2,1-6H3,(H,29,30)(H,31,34)
• InChIKey: FWDMAWNMTJVPNZ-UHFFFAOYSA-N
• XLogP: 10.40
• TPSA: 145.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.32
LogP ≤ 5	10.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The IUPAC name of N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide (CID 90867704) is N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide.

What is the SMILES notation for N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The canonical SMILES for N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is CC(=O)N1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.CCN1CCN(C(C)(C)c2ccc(NC(=O)c3ncc(C)[nH]3)c(C3=CCC(C)(C)CC3)c2)CC1.

What is the InChIKey of N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

The InChIKey is FWDMAWNMTJVPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N5O2.C28H41N5O/c1-19-18-29-25(30-19)26(35)31-24-8-7-22(17-23(24)21-9-11-27(3,4)12-10-21)28(5,6)33-15-13-32(14-16-33)20(2)34;1-7-32-14-16-33(17-15-32)28(5,6)22-8-9-24(31-26(34)25-29-19-20(2)30-25)23(18-22)21-10-12-27(3,4)13-11-21/h7-9,17-18H,10-16H2,1-6H3,(H,29,30)(H,31,35);8-10,18-19H,7,11-17H2,1-6H3,(H,29,30)(H,31,34).

What are the key properties of N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide?

N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide has a molecular weight of 941.32 g/mol, XLogP of 10.40, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(4-acetylpiperazin-1-yl)propan-2-yl]-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-5-methyl-1H-imidazole-2-carboxamide;N-[2-(4,4-dimethylcyclohexen-1-yl)-4-[2-(4-ethylpiperazin-1-yl)propan-2-yl]phenyl]-5-methyl-1H-imidazole-2-carboxamide is sourced from PubChem (CID 90867704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).