[4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane

C29H31N5O2 — CID 171496389

About [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane

[4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane (PubChem CID 171496389) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane.

Molecular Properties

• Compound Name: [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane
• PubChem CID: 171496389
• Molecular Formula: C29H31N5O2
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.25
• IUPAC Name: [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane
• SMILES: CC.CC(C)Oc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO)cc4)c3c2)cn1
• InChI: InChI=1S/C27H25N5O2.C2H6/c1-17(2)34-25-12-8-20(15-30-25)19-7-11-23-24(14-19)32(21-9-5-18(16-33)6-10-21)27(31-23)22-4-3-13-29-26(22)28;1-2/h3-15,17,33H,16H2,1-2H3,(H2,28,29);1-2H3
• InChIKey: QDTOHLFBWPWIJK-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 99.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane?

The IUPAC name of [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane (CID 171496389) is [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane.

What is the SMILES notation for [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane?

The canonical SMILES for [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane is CC.CC(C)Oc1ccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CO)cc4)c3c2)cn1.

What is the InChIKey of [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane?

The InChIKey is QDTOHLFBWPWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2.C2H6/c1-17(2)34-25-12-8-20(15-30-25)19-7-11-23-24(14-19)32(21-9-5-18(16-33)6-10-21)27(31-23)22-4-3-13-29-26(22)28;1-2/h3-15,17,33H,16H2,1-2H3,(H2,28,29);1-2H3.

What are the key properties of [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane?

[4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane has a molecular weight of 481.60 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(2-amino-3-pyridinyl)-6-(6-propan-2-yloxy-3-pyridinyl)benzimidazol-1-yl]phenyl]methanol;ethane is sourced from PubChem (CID 171496389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).