4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid

C23H31N3O2 — CID 22077402

IUPAC4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCN1CCC(c2ccc(-c3cn(C)c(C4CCC(C(=O)O)CC4)n3)cc2)CC1
InChIInChI=1S/C23H31N3O2/c1-25-13-11-17(12-14-25)16-3-5-18(6-4-16)21-15-26(2)22(24-21)19-7-9-20(10-8-19)23(27)28/h3-6,15,17,19-20H,7-14H2,1-2H3,(H,27,28)
InChIKeyOTGZHNIXHDFUCL-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.25
Rot. Bonds4

About 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid

4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 22077402) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID22077402
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid
SMILESCN1CCC(c2ccc(-c3cn(C)c(C4CCC(C(=O)O)CC4)n3)cc2)CC1
InChIInChI=1S/C23H31N3O2/c1-25-13-11-17(12-14-25)16-3-5-18(6-4-16)21-15-26(2)22(24-21)19-7-9-20(10-8-19)23(27)28/h3-6,15,17,19-20H,7-14H2,1-2H3,(H,27,28)
InChIKeyOTGZHNIXHDFUCL-UHFFFAOYSA-N
XLogP4.25
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid (CID 22077402) is 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid is CN1CCC(c2ccc(-c3cn(C)c(C4CCC(C(=O)O)CC4)n3)cc2)CC1.
What is the InChIKey of 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is OTGZHNIXHDFUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-25-13-11-17(12-14-25)16-3-5-18(6-4-16)21-15-26(2)22(24-21)19-7-9-20(10-8-19)23(27)28/h3-6,15,17,19-20H,7-14H2,1-2H3,(H,27,28).
What are the key properties of 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid?
4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 381.52 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-[4-(1-methylpiperidin-4-yl)phenyl]imidazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22077402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).