trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide

C23H24F3N3OS — CID 135377627

About trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide

trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 135377627) has the molecular formula C23H24F3N3OS and a molecular weight of 447.53 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 135377627
• Molecular Formula: C23H24F3N3OS
• Molecular Weight: 447.53 g/mol
• Exact Mass: 447.16
• IUPAC Name: trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide
• SMILES: O=C(N[C@H](c1ccc(C(F)(F)F)s1)C1CCCCC1)[C@H]1C[C@@H]1c1nc2ccccc2[nH]1
• InChI: InChI=1S/C23H24F3N3OS/c24-23(25,26)19-11-10-18(31-19)20(13-6-2-1-3-7-13)29-22(30)15-12-14(15)21-27-16-8-4-5-9-17(16)28-21/h4-5,8-11,13-15,20H,1-3,6-7,12H2,(H,27,28)(H,29,30)/t14-,15-,20-/m0/s1
• InChIKey: GLTRYSNKUGDJJD-AVYPCKFXSA-N
• XLogP: 6.18
• TPSA: 57.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.53
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide (CID 135377627) is trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide is O=C(N[C@H](c1ccc(C(F)(F)F)s1)C1CCCCC1)[C@H]1C[C@@H]1c1nc2ccccc2[nH]1.

What is the InChIKey of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide?

The InChIKey is GLTRYSNKUGDJJD-AVYPCKFXSA-N. The full InChI is InChI=1S/C23H24F3N3OS/c24-23(25,26)19-11-10-18(31-19)20(13-6-2-1-3-7-13)29-22(30)15-12-14(15)21-27-16-8-4-5-9-17(16)28-21/h4-5,8-11,13-15,20H,1-3,6-7,12H2,(H,27,28)(H,29,30)/t14-,15-,20-/m0/s1.

What are the key properties of trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide?

trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 447.53 g/mol, XLogP of 6.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(S)-cyclohexyl-[5-(trifluoromethyl)thiophen-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135377627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).