N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide

C22H18ClF4N5O2 — CID 146509065

About N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide (PubChem CID 146509065) has the molecular formula C22H18ClF4N5O2 and a molecular weight of 495.86 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide
• PubChem CID: 146509065
• Molecular Formula: C22H18ClF4N5O2
• Molecular Weight: 495.86 g/mol
• Exact Mass: 495.11
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide
• SMILES: CC(C)n1c(C(F)F)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c21
• InChI: InChI=1S/C22H18ClF4N5O2/c1-11(2)32-18-15(16-7-8-28-31-16)9-12(10-17(18)30-20(32)19(24)25)21(33)29-13-3-5-14(6-4-13)34-22(23,26)27/h3-11,19H,1-2H3,(H,28,31)(H,29,33)
• InChIKey: ZPKMLWMQOLVASB-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.86
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide (CID 146509065) is N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide is CC(C)n1c(C(F)F)nc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c21.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide?

The InChIKey is ZPKMLWMQOLVASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF4N5O2/c1-11(2)32-18-15(16-7-8-28-31-16)9-12(10-17(18)30-20(32)19(24)25)21(33)29-13-3-5-14(6-4-13)34-22(23,26)27/h3-11,19H,1-2H3,(H,28,31)(H,29,33).

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide has a molecular weight of 495.86 g/mol, XLogP of 6.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-2-(difluoromethyl)-1-propan-2-yl-7-(1H-pyrazol-5-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 146509065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).