N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide

C24H21ClF3N5O — CID 59655261

About N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide

N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 59655261) has the molecular formula C24H21ClF3N5O and a molecular weight of 487.91 g/mol. Its IUPAC name is N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide
• PubChem CID: 59655261
• Molecular Formula: C24H21ClF3N5O
• Molecular Weight: 487.91 g/mol
• Exact Mass: 487.14
• IUPAC Name: N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide
• SMILES: Cc1nc2c(n1-c1ccc(C(=O)N[C@@H](C)c3nc4ccc(Cl)cc4[nH]3)cc1C(F)(F)F)CCC2
• InChI: InChI=1S/C24H21ClF3N5O/c1-12(22-31-17-8-7-15(25)11-19(17)32-22)29-23(34)14-6-9-20(16(10-14)24(26,27)28)33-13(2)30-18-4-3-5-21(18)33/h6-12H,3-5H2,1-2H3,(H,29,34)(H,31,32)/t12-/m0/s1
• InChIKey: YVGKNUSFFVEBAW-LBPRGKRZSA-N
• XLogP: 5.71
• TPSA: 75.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.91
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide (CID 59655261) is N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide is Cc1nc2c(n1-c1ccc(C(=O)N[C@@H](C)c3nc4ccc(Cl)cc4[nH]3)cc1C(F)(F)F)CCC2.

What is the InChIKey of N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide?

The InChIKey is YVGKNUSFFVEBAW-LBPRGKRZSA-N. The full InChI is InChI=1S/C24H21ClF3N5O/c1-12(22-31-17-8-7-15(25)11-19(17)32-22)29-23(34)14-6-9-20(16(10-14)24(26,27)28)33-13(2)30-18-4-3-5-21(18)33/h6-12H,3-5H2,1-2H3,(H,29,34)(H,31,32)/t12-/m0/s1.

What are the key properties of N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide?

N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 487.91 g/mol, XLogP of 5.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(2-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 59655261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).