N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

C27H24F3N5O2 — CID 90229340

About N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (PubChem CID 90229340) has the molecular formula C27H24F3N5O2 and a molecular weight of 507.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
• PubChem CID: 90229340
• Molecular Formula: C27H24F3N5O2
• Molecular Weight: 507.52 g/mol
• Exact Mass: 507.19
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide
• SMILES: CN(C)c1nc2c(C(=O)Nc3ccc4c(c3)CCC4)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1
• InChI: InChI=1S/C27H24F3N5O2/c1-35(2)26-33-22-14-18(32-24(36)19-8-3-4-9-21(19)27(28,29)30)13-20(23(22)34-26)25(37)31-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-14H,5-7H2,1-2H3,(H,31,37)(H,32,36)(H,33,34)
• InChIKey: MBHQONNSLGNUQE-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 90.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	507.52
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide (CID 90229340) is N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is CN(C)c1nc2c(C(=O)Nc3ccc4c(c3)CCC4)cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

The InChIKey is MBHQONNSLGNUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O2/c1-35(2)26-33-22-14-18(32-24(36)19-8-3-4-9-21(19)27(28,29)30)13-20(23(22)34-26)25(37)31-17-11-10-15-6-5-7-16(15)12-17/h3-4,8-14H,5-7H2,1-2H3,(H,31,37)(H,32,36)(H,33,34).

What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide?

N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide has a molecular weight of 507.52 g/mol, XLogP of 5.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)-6-[[2-(trifluoromethyl)benzoyl]amino]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 90229340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).