N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide

C27H31FN6O2 — CID 59790041

About N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide

N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide (PubChem CID 59790041) has the molecular formula C27H31FN6O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

• Compound Name: N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide
• PubChem CID: 59790041
• Molecular Formula: C27H31FN6O2
• Molecular Weight: 490.58 g/mol
• Exact Mass: 490.25
• IUPAC Name: N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide
• SMILES: CC(C)NCC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2cc(C(C)C)ccc2F)n3C)ccn1
• InChI: InChI=1S/C27H31FN6O2/c1-16(2)18-6-8-21(28)22(12-18)31-27-32-23-13-19(7-9-24(23)34(27)5)36-20-10-11-29-25(14-20)33-26(35)15-30-17(3)4/h6-14,16-17,30H,15H2,1-5H3,(H,31,32)(H,29,33,35)
• InChIKey: UQCQANHWOBDSGO-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 93.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.58
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide?

The IUPAC name of N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide (CID 59790041) is N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide.

What is the SMILES notation for N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide?

The canonical SMILES for N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cc(Oc2ccc3c(c2)nc(Nc2cc(C(C)C)ccc2F)n3C)ccn1.

What is the InChIKey of N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide?

The InChIKey is UQCQANHWOBDSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O2/c1-16(2)18-6-8-21(28)22(12-18)31-27-32-23-13-19(7-9-24(23)34(27)5)36-20-10-11-29-25(14-20)33-26(35)15-30-17(3)4/h6-14,16-17,30H,15H2,1-5H3,(H,31,32)(H,29,33,35).

What are the key properties of N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide?

N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 490.58 g/mol, XLogP of 5.70, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-(2-fluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 59790041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).