2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

C24H19ClF3N5O2 — CID 58279038

About 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58279038) has the molecular formula C24H19ClF3N5O2 and a molecular weight of 501.90 g/mol. Its IUPAC name is 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
• PubChem CID: 58279038
• Molecular Formula: C24H19ClF3N5O2
• Molecular Weight: 501.90 g/mol
• Exact Mass: 501.12
• IUPAC Name: 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
• SMILES: O=C(Nc1ccccn1)c1cc(N2CCOCC2)cc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12
• InChI: InChI=1S/C24H19ClF3N5O2/c25-14-4-5-16(18(11-14)24(26,27)28)22-30-19-13-15(33-7-9-35-10-8-33)12-17(21(19)32-22)23(34)31-20-3-1-2-6-29-20/h1-6,11-13H,7-10H2,(H,30,32)(H,29,31,34)
• InChIKey: QLLZAXMCJDVILZ-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.90
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?

The IUPAC name of 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (CID 58279038) is 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?

The canonical SMILES for 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is O=C(Nc1ccccn1)c1cc(N2CCOCC2)cc2[nH]c(-c3ccc(Cl)cc3C(F)(F)F)nc12.

What is the InChIKey of 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?

The InChIKey is QLLZAXMCJDVILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N5O2/c25-14-4-5-16(18(11-14)24(26,27)28)22-30-19-13-15(33-7-9-35-10-8-33)12-17(21(19)32-22)23(34)31-20-3-1-2-6-29-20/h1-6,11-13H,7-10H2,(H,30,32)(H,29,31,34).

What are the key properties of 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?

2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 501.90 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-(trifluoromethyl)phenyl]-6-morpholin-4-yl-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58279038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).