(2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane

C20H28ClN5O — CID 158060116

About (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane

(2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane (PubChem CID 158060116) has the molecular formula C20H28ClN5O and a molecular weight of 389.93 g/mol. Its IUPAC name is (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane.

Molecular Properties

• Compound Name: (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane
• PubChem CID: 158060116
• Molecular Formula: C20H28ClN5O
• Molecular Weight: 389.93 g/mol
• Exact Mass: 389.20
• IUPAC Name: (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane
• SMILES: C.Cn1cncc1-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12
• InChI: InChI=1S/C19H24ClN5O.CH4/c1-24-11-21-10-17(24)14-8-13(20)9-16-19(14)25(12-23-16)7-3-4-15-18(26)5-2-6-22-15;/h8-12,15,18,22,26H,2-7H2,1H3;1H4/t15-,18+;/m1./s1
• InChIKey: FKNOOOQOIQMORV-CFILVAQYSA-N
• XLogP: 3.62
• TPSA: 67.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.93
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane?

The IUPAC name of (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane (CID 158060116) is (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane.

What is the SMILES notation for (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane?

The canonical SMILES for (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane is C.Cn1cncc1-c1cc(Cl)cc2ncn(CCC[C@H]3NCCC[C@@H]3O)c12.

What is the InChIKey of (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane?

The InChIKey is FKNOOOQOIQMORV-CFILVAQYSA-N. The full InChI is InChI=1S/C19H24ClN5O.CH4/c1-24-11-21-10-17(24)14-8-13(20)9-16-19(14)25(12-23-16)7-3-4-15-18(26)5-2-6-22-15;/h8-12,15,18,22,26H,2-7H2,1H3;1H4/t15-,18+;/m1./s1.

What are the key properties of (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane?

(2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane has a molecular weight of 389.93 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-2-[3-[5-chloro-7-(3-methylimidazol-4-yl)benzimidazol-1-yl]propyl]piperidin-3-ol;methane is sourced from PubChem (CID 158060116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).