2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid

C23H25N3O2 — CID 56879229

IUPAC2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid
SMILESCN1CCC(Cn2ccnc2-c2ccccc2C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c1-25-14-11-23(12-15-25,18-7-3-2-4-8-18)17-26-16-13-24-21(26)19-9-5-6-10-20(19)22(27)28/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,27,28)
InChIKeyWGRJVOYSLAOTIP-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.91
Rot. Bonds5

About 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid

2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid (PubChem CID 56879229) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid
PubChem CID56879229
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid
SMILESCN1CCC(Cn2ccnc2-c2ccccc2C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C23H25N3O2/c1-25-14-11-23(12-15-25,18-7-3-2-4-8-18)17-26-16-13-24-21(26)19-9-5-6-10-20(19)22(27)28/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,27,28)
InChIKeyWGRJVOYSLAOTIP-UHFFFAOYSA-N
XLogP3.91
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrimidine-5-carboxylic acid
CID 159705164
[4-[[2-(2-ethylphenyl)imidazol-1-yl]methyl]oxan-4-yl]methanol
CID 154570402
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
2-[[2-(4-tert-butylphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560688
butane;formaldehyde;N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 143049208
(2S)-2-methoxy-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-phenylacetamide
CID 124756158
2-[[2-(4-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560539
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
2-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-3-yl)ethyl]benzamide
CID 56723308
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
N-methyl-2-(1-methylimidazol-2-yl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 97131034

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid?
The IUPAC name of 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid (CID 56879229) is 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid?
The canonical SMILES for 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid is CN1CCC(Cn2ccnc2-c2ccccc2C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid?
The InChIKey is WGRJVOYSLAOTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25-14-11-23(12-15-25,18-7-3-2-4-8-18)17-26-16-13-24-21(26)19-9-5-6-10-20(19)22(27)28/h2-10,13,16H,11-12,14-15,17H2,1H3,(H,27,28).
What are the key properties of 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid?
2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid has a molecular weight of 375.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methyl-4-phenylpiperidin-4-yl)methyl]imidazol-2-yl]benzoic acid is sourced from PubChem (CID 56879229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).