3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide

C28H29FN4O — CID 155622514

About 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide

3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide (PubChem CID 155622514) has the molecular formula C28H29FN4O and a molecular weight of 456.57 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide
• PubChem CID: 155622514
• Molecular Formula: C28H29FN4O
• Molecular Weight: 456.57 g/mol
• Exact Mass: 456.23
• IUPAC Name: 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide
• SMILES: C[C@@H](c1nc2ccc(C(N)=O)cc2n1C1CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1
• InChI: InChI=1S/C28H29FN4O/c1-16(28-32-25-10-6-19(27(30)34)14-26(25)33(28)21-8-9-21)17-2-4-18(5-3-17)22-12-13-31-24-11-7-20(29)15-23(22)24/h6-7,10-18,21H,2-5,8-9H2,1H3,(H2,30,34)/t16-,17?,18?/m1/s1
• InChIKey: GJDZUPCFPBXLGL-WWDZGPRUSA-N
• XLogP: 6.23
• TPSA: 73.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.57
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide?

The IUPAC name of 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide (CID 155622514) is 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide.

What is the SMILES notation for 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide?

The canonical SMILES for 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide is C[C@@H](c1nc2ccc(C(N)=O)cc2n1C1CC1)C1CCC(c2ccnc3ccc(F)cc23)CC1.

What is the InChIKey of 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide?

The InChIKey is GJDZUPCFPBXLGL-WWDZGPRUSA-N. The full InChI is InChI=1S/C28H29FN4O/c1-16(28-32-25-10-6-19(27(30)34)14-26(25)33(28)21-8-9-21)17-2-4-18(5-3-17)22-12-13-31-24-11-7-20(29)15-23(22)24/h6-7,10-18,21H,2-5,8-9H2,1H3,(H2,30,34)/t16-,17?,18?/m1/s1.

What are the key properties of 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide?

3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopropyl-2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 155622514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).