3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid

C19H19N3O3 — CID 66550615

IUPAC3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3ccc(OC4CCNCC4)cc3)c2c1
InChIInChI=1S/C19H19N3O3/c23-19(24)13-1-6-17-18(11-13)22(12-21-17)14-2-4-15(5-3-14)25-16-7-9-20-10-8-16/h1-6,11-12,16,20H,7-10H2,(H,23,24)
InChIKeyXEAXOHJZQLRGAV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.85
Rot. Bonds4

About 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid

3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid (PubChem CID 66550615) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid
PubChem CID66550615
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid
SMILESO=C(O)c1ccc2ncn(-c3ccc(OC4CCNCC4)cc3)c2c1
InChIInChI=1S/C19H19N3O3/c23-19(24)13-1-6-17-18(11-13)22(12-21-17)14-2-4-15(5-3-14)25-16-7-9-20-10-8-16/h1-6,11-12,16,20H,7-10H2,(H,23,24)
InChIKeyXEAXOHJZQLRGAV-UHFFFAOYSA-N
XLogP2.85
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790830
3-[4-[(4-chlorophenyl)methoxy]phenyl]benzimidazole-5-carboxylic acid
CID 166873730
4-methoxy-3-piperidin-4-yloxybenzoic acid
CID 117053793
1-methyl-5-piperidin-4-yloxybenzimidazole
CID 84694843
3-(cyclobutylmethyl)benzimidazole-5-carboxylic acid
CID 82791377
3-(3-bromo-5-methylphenyl)benzimidazole-5-carboxylic acid
CID 107576704
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
3-(4-methoxy-1H-pyrrol-3-yl)benzimidazole-5-carboxylic acid
CID 176893020
methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
2-(3-pyridin-4-ylbenzimidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 175840092
3-(2-iodophenyl)benzimidazole-5-carboxylic acid
CID 82790606
[4-[4-(benzimidazol-1-yl)benzoyl]piperazin-1-yl]-phenylmethanone
CID 17475824

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid?
The IUPAC name of 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid (CID 66550615) is 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid?
The canonical SMILES for 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid is O=C(O)c1ccc2ncn(-c3ccc(OC4CCNCC4)cc3)c2c1.
What is the InChIKey of 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid?
The InChIKey is XEAXOHJZQLRGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-19(24)13-1-6-17-18(11-13)22(12-21-17)14-2-4-15(5-3-14)25-16-7-9-20-10-8-16/h1-6,11-12,16,20H,7-10H2,(H,23,24).
What are the key properties of 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid?
3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-yloxyphenyl)benzimidazole-5-carboxylic acid is sourced from PubChem (CID 66550615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).