2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide

C23H24ClFN4O2 — CID 110092686

IUPAC2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(Cc4ccc(Cl)c(F)c4)CC3)[nH]c2C(N)=O)cc1
InChIInChI=1S/C23H24ClFN4O2/c1-31-17-5-3-15(4-6-17)20-21(22(26)30)28-23(27-20)16-8-10-29(11-9-16)13-14-2-7-18(24)19(25)12-14/h2-7,12,16H,8-11,13H2,1H3,(H2,26,30)(H,27,28)
InChIKeySAMYBTWTLBKPFB-UHFFFAOYSA-N
MW442.92 g/mol
LogP4.36
Rot. Bonds6

About 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide

2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide (PubChem CID 110092686) has the molecular formula C23H24ClFN4O2 and a molecular weight of 442.92 g/mol. Its IUPAC name is 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
PubChem CID110092686
Molecular FormulaC23H24ClFN4O2
Molecular Weight442.92 g/mol
Exact Mass442.16
IUPAC Name2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide
SMILESCOc1ccc(-c2nc(C3CCN(Cc4ccc(Cl)c(F)c4)CC3)[nH]c2C(N)=O)cc1
InChIInChI=1S/C23H24ClFN4O2/c1-31-17-5-3-15(4-6-17)20-21(22(26)30)28-23(27-20)16-8-10-29(11-9-16)13-14-2-7-18(24)19(25)12-14/h2-7,12,16H,8-11,13H2,1H3,(H2,26,30)(H,27,28)
InChIKeySAMYBTWTLBKPFB-UHFFFAOYSA-N
XLogP4.36
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide (CID 110092686) is 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide is COc1ccc(-c2nc(C3CCN(Cc4ccc(Cl)c(F)c4)CC3)[nH]c2C(N)=O)cc1.
What is the InChIKey of 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide?
The InChIKey is SAMYBTWTLBKPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O2/c1-31-17-5-3-15(4-6-17)20-21(22(26)30)28-23(27-20)16-8-10-29(11-9-16)13-14-2-7-18(24)19(25)12-14/h2-7,12,16H,8-11,13H2,1H3,(H2,26,30)(H,27,28).
What are the key properties of 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide?
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 110092686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).