5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide

C27H29FN6O — CID 158964942

About 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide

5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide (PubChem CID 158964942) has the molecular formula C27H29FN6O and a molecular weight of 472.57 g/mol. Its IUPAC name is 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide
• PubChem CID: 158964942
• Molecular Formula: C27H29FN6O
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.24
• IUPAC Name: 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1
• InChI: InChI=1S/C27H29FN6O/c1-16-11-20(28)19(12-22(16)33-14-23(30-15-33)27(3,4)5)26(35)32-24-8-6-7-21(31-24)25-29-13-18-10-9-17(2)34(18)25/h6-8,11-15,17H,9-10H2,1-5H3,(H,31,32,35)/t17-/m0/s1
• InChIKey: OHUCZGUHGXKIMR-KRWDZBQOSA-N
• XLogP: 5.64
• TPSA: 77.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide?

The IUPAC name of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide (CID 158964942) is 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide.

What is the SMILES notation for 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide?

The canonical SMILES for 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3ncc4n3[C@@H](C)CC4)n2)cc1-n1cnc(C(C)(C)C)c1.

What is the InChIKey of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide?

The InChIKey is OHUCZGUHGXKIMR-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H29FN6O/c1-16-11-20(28)19(12-22(16)33-14-23(30-15-33)27(3,4)5)26(35)32-24-8-6-7-21(31-24)25-29-13-18-10-9-17(2)34(18)25/h6-8,11-15,17H,9-10H2,1-5H3,(H,31,32,35)/t17-/m0/s1.

What are the key properties of 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide?

5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide has a molecular weight of 472.57 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[(5S)-5-methyl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 158964942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).