N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide

C25H36N4O2 — CID 78150114

About N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide

N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide (PubChem CID 78150114) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide
• PubChem CID: 78150114
• Molecular Formula: C25H36N4O2
• Molecular Weight: 424.59 g/mol
• Exact Mass: 424.28
• IUPAC Name: N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide
• SMILES: CC1=CC(CNC(=O)N2CCOCC2)C(C(C)C)CC1Cc1nc2ccccc2n1C
• InChI: InChI=1S/C25H36N4O2/c1-17(2)21-14-19(15-24-27-22-7-5-6-8-23(22)28(24)4)18(3)13-20(21)16-26-25(30)29-9-11-31-12-10-29/h5-8,13,17,19-21H,9-12,14-16H2,1-4H3,(H,26,30)
• InChIKey: HXNIOUHGZFLWBL-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.59
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide?

The IUPAC name of N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide (CID 78150114) is N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide.

What is the SMILES notation for N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide?

The canonical SMILES for N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide is CC1=CC(CNC(=O)N2CCOCC2)C(C(C)C)CC1Cc1nc2ccccc2n1C.

What is the InChIKey of N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide?

The InChIKey is HXNIOUHGZFLWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c1-17(2)21-14-19(15-24-27-22-7-5-6-8-23(22)28(24)4)18(3)13-20(21)16-26-25(30)29-9-11-31-12-10-29/h5-8,13,17,19-21H,9-12,14-16H2,1-4H3,(H,26,30).

What are the key properties of N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide?

N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide has a molecular weight of 424.59 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 78150114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).