2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide

C27H36N4O — CID 118318455

About 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide

2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide (PubChem CID 118318455) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide
• PubChem CID: 118318455
• Molecular Formula: C27H36N4O
• Molecular Weight: 432.61 g/mol
• Exact Mass: 432.29
• IUPAC Name: 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide
• SMILES: CCc1ccc(Nc2nc3cc(C(=O)N(C)C)ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
• InChI: InChI=1S/C27H36N4O/c1-7-19-8-11-21(12-9-19)28-26-29-23-15-20(25(32)30(5)6)10-13-24(23)31(26)22-14-18(2)16-27(3,4)17-22/h8-13,15,18,22H,7,14,16-17H2,1-6H3,(H,28,29)/t18-,22+/m1/s1
• InChIKey: UUVRQFXUFLOILN-GCJKJVERSA-N
• XLogP: 6.43
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.61
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide?

The IUPAC name of 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide (CID 118318455) is 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide.

What is the SMILES notation for 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide?

The canonical SMILES for 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide is CCc1ccc(Nc2nc3cc(C(=O)N(C)C)ccc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1.

What is the InChIKey of 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide?

The InChIKey is UUVRQFXUFLOILN-GCJKJVERSA-N. The full InChI is InChI=1S/C27H36N4O/c1-7-19-8-11-21(12-9-19)28-26-29-23-15-20(25(32)30(5)6)10-13-24(23)31(26)22-14-18(2)16-27(3,4)17-22/h8-13,15,18,22H,7,14,16-17H2,1-6H3,(H,28,29)/t18-,22+/m1/s1.

What are the key properties of 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide?

2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 6.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-ethylanilino)-N,N-dimethyl-1-[(1S,5S)-3,3,5-trimethylcyclohexyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 118318455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).