2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine

C22H24Cl2N4 — CID 130361461

IUPAC2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine
SMILESCc1ccnc(-c2nc(CN3CCC(c4cc(Cl)cc(Cl)c4)CC3)cn2C)c1
InChIInChI=1S/C22H24Cl2N4/c1-15-3-6-25-21(9-15)22-26-20(13-27(22)2)14-28-7-4-16(5-8-28)17-10-18(23)12-19(24)11-17/h3,6,9-13,16H,4-5,7-8,14H2,1-2H3
InChIKeyMTIWWENCLXLVFL-UHFFFAOYSA-N
MW415.37 g/mol
LogP5.48
Rot. Bonds4

About 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine

2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine (PubChem CID 130361461) has the molecular formula C22H24Cl2N4 and a molecular weight of 415.37 g/mol. Its IUPAC name is 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine.

Molecular Properties

Compound Name2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine
PubChem CID130361461
Molecular FormulaC22H24Cl2N4
Molecular Weight415.37 g/mol
Exact Mass414.14
IUPAC Name2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine
SMILESCc1ccnc(-c2nc(CN3CCC(c4cc(Cl)cc(Cl)c4)CC3)cn2C)c1
InChIInChI=1S/C22H24Cl2N4/c1-15-3-6-25-21(9-15)22-26-20(13-27(22)2)14-28-7-4-16(5-8-28)17-10-18(23)12-19(24)11-17/h3,6,9-13,16H,4-5,7-8,14H2,1-2H3
InChIKeyMTIWWENCLXLVFL-UHFFFAOYSA-N
XLogP5.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.37
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine?
The IUPAC name of 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine (CID 130361461) is 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine.
What is the SMILES notation for 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine?
The canonical SMILES for 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine is Cc1ccnc(-c2nc(CN3CCC(c4cc(Cl)cc(Cl)c4)CC3)cn2C)c1.
What is the InChIKey of 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine?
The InChIKey is MTIWWENCLXLVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4/c1-15-3-6-25-21(9-15)22-26-20(13-27(22)2)14-28-7-4-16(5-8-28)17-10-18(23)12-19(24)11-17/h3,6,9-13,16H,4-5,7-8,14H2,1-2H3.
What are the key properties of 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine?
2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine has a molecular weight of 415.37 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(3,5-dichlorophenyl)piperidin-1-yl]methyl]-1-methylimidazol-2-yl]-4-methylpyridine is sourced from PubChem (CID 130361461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).