azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine)

C141H162N34O4 — CID 157470309

About azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine)

azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine) (PubChem CID 157470309) has the molecular formula C141H162N34O4 and a molecular weight of 2397.08 g/mol. Its IUPAC name is azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine).

Molecular Properties

• Compound Name: azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine)
• PubChem CID: 157470309
• Molecular Formula: C141H162N34O4
• Molecular Weight: 2397.08 g/mol
• Exact Mass: 2395.35
• IUPAC Name: azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine)
• SMILES: C.CC(O)CC(C)O.CC(O)CC(C)O.CN1C=CN(c2cccnc2)C1.CN1C=CN(c2cccnc2)C1.CN1CN(c2ccccc2)c2ccccc21.CN1CN(c2ccccc2)c2ccccc21.CN1CN(c2cccnc2)c2ccccc21.CN1CN(c2cccnc2)c2ccccc21.N.N.N.N.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ncccn2)nc1.c1ccc(-c2ncccn2)nc1.c1cncc(-c2cnccn2)c1.c1cncc(-c2cnccn2)c1
• InChI: InChI=1S/2C14H14N2.2C13H13N3.2C11H9N.2C9H11N3.4C9H7N3.2C5H12O2.CH4.4H3N/c2*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-15-10-16(11-5-4-8-14-9-11)13-7-3-2-6-12(13)15;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-11-5-6-12(8-11)9-3-2-4-10-7-9;2*1-2-5-10-8(4-1)9-11-6-3-7-12-9;2*1-2-8(6-10-3-1)9-7-11-4-5-12-9;2*1-4(6)3-5(2)7;;;;;/h2*2-10H,11H2,1H3;2*2-9H,10H2,1H3;2*1-9H;2*2-7H,8H2,1H3;4*1-7H;2*4-7H,3H2,1-2H3;1H4;4*1H3
• InChIKey: HNBWJBNMTVMASX-UHFFFAOYSA-N
• XLogP: 27.45
• TPSA: 491.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 16
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2397.08
LogP ≤ 5	27.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine)?

The IUPAC name of azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine) (CID 157470309) is azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine).

What is the SMILES notation for azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine)?

The canonical SMILES for azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine) is C.CC(O)CC(C)O.CC(O)CC(C)O.CN1C=CN(c2cccnc2)C1.CN1C=CN(c2cccnc2)C1.CN1CN(c2ccccc2)c2ccccc21.CN1CN(c2ccccc2)c2ccccc21.CN1CN(c2cccnc2)c2ccccc21.CN1CN(c2cccnc2)c2ccccc21.N.N.N.N.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccc(-c2ncccn2)nc1.c1ccc(-c2ncccn2)nc1.c1cncc(-c2cnccn2)c1.c1cncc(-c2cnccn2)c1.

What is the InChIKey of azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine)?

The InChIKey is HNBWJBNMTVMASX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H14N2.2C13H13N3.2C11H9N.2C9H11N3.4C9H7N3.2C5H12O2.CH4.4H3N/c2*1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;2*1-15-10-16(11-5-4-8-14-9-11)13-7-3-2-6-12(13)15;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-11-5-6-12(8-11)9-3-2-4-10-7-9;2*1-2-5-10-8(4-1)9-11-6-3-7-12-9;2*1-2-8(6-10-3-1)9-7-11-4-5-12-9;2*1-4(6)3-5(2)7;;;;;/h2*2-10H,11H2,1H3;2*2-9H,10H2,1H3;2*1-9H;2*2-7H,8H2,1H3;4*1-7H;2*4-7H,3H2,1-2H3;1H4;4*1H3.

What are the key properties of azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine)?

azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine) has a molecular weight of 2397.08 g/mol, XLogP of 27.45, 16 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for azane;methane;bis(3-(3-methyl-2H-imidazol-1-yl)pyridine);bis(1-methyl-3-phenyl-2H-benzimidazole);bis(1-methyl-3-pyridin-3-yl-2H-benzimidazole);bis(pentane-2,4-diol);bis(2-phenylpyridine);bis(2-pyridin-3-ylpyrazine);bis(2-pyridin-2-ylpyrimidine) is sourced from PubChem (CID 157470309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).