2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

C25H29ClF3N7O2 — CID 144757135

About 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide

2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 144757135) has the molecular formula C25H29ClF3N7O2 and a molecular weight of 552.00 g/mol. Its IUPAC name is 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
• PubChem CID: 144757135
• Molecular Formula: C25H29ClF3N7O2
• Molecular Weight: 552.00 g/mol
• Exact Mass: 551.20
• IUPAC Name: 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide
• SMILES: CC(C)(O)C#Cc1nc(Cl)n(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCC1CCC(C2=NNNN2)CC1
• InChI: InChI=1S/C25H29ClF3N7O2/c1-24(2,38)12-11-19-20(22(37)30-13-15-3-7-17(8-4-15)21-32-34-35-33-21)36(23(26)31-19)14-16-5-9-18(10-6-16)25(27,28)29/h5-6,9-10,15,17,34-35,38H,3-4,7-8,13-14H2,1-2H3,(H,30,37)(H,32,33)
• InChIKey: CGPAQCPGORZBKY-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 115.60 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.00
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?

The IUPAC name of 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide (CID 144757135) is 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide.

What is the SMILES notation for 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?

The canonical SMILES for 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is CC(C)(O)C#Cc1nc(Cl)n(Cc2ccc(C(F)(F)F)cc2)c1C(=O)NCC1CCC(C2=NNNN2)CC1.

What is the InChIKey of 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?

The InChIKey is CGPAQCPGORZBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClF3N7O2/c1-24(2,38)12-11-19-20(22(37)30-13-15-3-7-17(8-4-15)21-32-34-35-33-21)36(23(26)31-19)14-16-5-9-18(10-6-16)25(27,28)29/h5-6,9-10,15,17,34-35,38H,3-4,7-8,13-14H2,1-2H3,(H,30,37)(H,32,33).

What are the key properties of 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide?

2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 552.00 g/mol, XLogP of 3.19, 6 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]methyl]-5-(3-hydroxy-3-methylbut-1-ynyl)-3-[[4-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 144757135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).