4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid

C19H19N3O2 — CID 22240874

IUPAC4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2)(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H19N3O2/c23-18(24)22-12-10-19(11-13-22,14-6-2-1-3-7-14)17-20-15-8-4-5-9-16(15)21-17/h1-9H,10-13H2,(H,20,21)(H,23,24)
InChIKeyASRCAOGTKMPWRF-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.62
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid

4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid (PubChem CID 22240874) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid
PubChem CID22240874
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2ccccc2)(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H19N3O2/c23-18(24)22-12-10-19(11-13-22,14-6-2-1-3-7-14)17-20-15-8-4-5-9-16(15)21-17/h1-9H,10-13H2,(H,20,21)(H,23,24)
InChIKeyASRCAOGTKMPWRF-UHFFFAOYSA-N
XLogP3.62
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-hydroxyphenyl)-4-phenylpiperidine-1-carboxylic acid
CID 91426619
1-(1H-benzimidazol-2-yl)cyclopropane-1-carboxamide
CID 91134350
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
4-(2-benzyltetrazol-5-yl)-4-phenylpiperidine-1-carboxylic acid
CID 22240699
2-(1-fluorocyclopropyl)-1H-benzimidazole
CID 67492250
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(2R)-2-(1H-benzimidazol-2-yl)-1-propanoylpyrrolidine-2-carboxamide
CID 69260201
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
2-(1-methylcyclooctyl)-1H-benzimidazole
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2-(2-methylazetidin-2-yl)-1H-benzimidazole
CID 141153075
3-(4-carbamoyl-1H-benzimidazol-2-yl)-3-methylpyrrolidine-1-carboxylic acid
CID 66751111
1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 167313683

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid (CID 22240874) is 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid is O=C(O)N1CCC(c2ccccc2)(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is ASRCAOGTKMPWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18(24)22-12-10-19(11-13-22,14-6-2-1-3-7-14)17-20-15-8-4-5-9-16(15)21-17/h1-9H,10-13H2,(H,20,21)(H,23,24).
What are the key properties of 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid?
4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22240874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).