N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide

C30H24N6O — CID 59924831

About N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide

N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide (PubChem CID 59924831) has the molecular formula C30H24N6O and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide
• PubChem CID: 59924831
• Molecular Formula: C30H24N6O
• Molecular Weight: 484.56 g/mol
• Exact Mass: 484.20
• IUPAC Name: N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide
• SMILES: C[C@H](Nc1nccc(-n2cnc3cc(NC(=O)c4cccc5ccccc45)ccc32)n1)c1ccccc1
• InChI: InChI=1S/C30H24N6O/c1-20(21-8-3-2-4-9-21)33-30-31-17-16-28(35-30)36-19-32-26-18-23(14-15-27(26)36)34-29(37)25-13-7-11-22-10-5-6-12-24(22)25/h2-20H,1H3,(H,34,37)(H,31,33,35)/t20-/m0/s1
• InChIKey: FKSWYCPVBHHDHR-FQEVSTJZSA-N
• XLogP: 6.39
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.56
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide?

The IUPAC name of N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide (CID 59924831) is N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide?

The canonical SMILES for N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide is C[C@H](Nc1nccc(-n2cnc3cc(NC(=O)c4cccc5ccccc45)ccc32)n1)c1ccccc1.

What is the InChIKey of N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide?

The InChIKey is FKSWYCPVBHHDHR-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H24N6O/c1-20(21-8-3-2-4-9-21)33-30-31-17-16-28(35-30)36-19-32-26-18-23(14-15-27(26)36)34-29(37)25-13-7-11-22-10-5-6-12-24(22)25/h2-20H,1H3,(H,34,37)(H,31,33,35)/t20-/m0/s1.

What are the key properties of N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide?

N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide has a molecular weight of 484.56 g/mol, XLogP of 6.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 59924831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).