2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine

C27H27ClN4O2 — CID 161114744

About 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine

2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine (PubChem CID 161114744) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine
• PubChem CID: 161114744
• Molecular Formula: C27H27ClN4O2
• Molecular Weight: 474.99 g/mol
• Exact Mass: 474.18
• IUPAC Name: 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine
• SMILES: COc1cc(OCc2ccc(C)cn2)ccc1-c1nc(-c2ccc(Cl)nc2)n(CC2CC2)c1C
• InChI: InChI=1S/C27H27ClN4O2/c1-17-4-8-21(29-13-17)16-34-22-9-10-23(24(12-22)33-3)26-18(2)32(15-19-5-6-19)27(31-26)20-7-11-25(28)30-14-20/h4,7-14,19H,5-6,15-16H2,1-3H3
• InChIKey: UKDWOQLWFXFNEQ-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 62.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.99
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine?

The IUPAC name of 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine (CID 161114744) is 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine.

What is the SMILES notation for 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine?

The canonical SMILES for 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine is COc1cc(OCc2ccc(C)cn2)ccc1-c1nc(-c2ccc(Cl)nc2)n(CC2CC2)c1C.

What is the InChIKey of 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine?

The InChIKey is UKDWOQLWFXFNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c1-17-4-8-21(29-13-17)16-34-22-9-10-23(24(12-22)33-3)26-18(2)32(15-19-5-6-19)27(31-26)20-7-11-25(28)30-14-20/h4,7-14,19H,5-6,15-16H2,1-3H3.

What are the key properties of 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine?

2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine has a molecular weight of 474.99 g/mol, XLogP of 6.27, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[1-(cyclopropylmethyl)-4-[2-methoxy-4-[(5-methyl-2-pyridinyl)methoxy]phenyl]-5-methylimidazol-2-yl]pyridine is sourced from PubChem (CID 161114744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).