4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid

C23H25N3O3 — CID 140992645

IUPAC4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid
SMILESO=C(O)c1ccc(CCCn2c(C(=O)C3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C23H25N3O3/c27-21(17-11-13-24-14-12-17)22-25-19-5-1-2-6-20(19)26(22)15-3-4-16-7-9-18(10-8-16)23(28)29/h1-2,5-10,17,24H,3-4,11-15H2,(H,28,29)
InChIKeyMRYVYPYPMBKYIW-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.55
Rot. Bonds7

About 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid

4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid (PubChem CID 140992645) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid.

Molecular Properties

Compound Name4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid
PubChem CID140992645
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid
SMILESO=C(O)c1ccc(CCCn2c(C(=O)C3CCNCC3)nc3ccccc32)cc1
InChIInChI=1S/C23H25N3O3/c27-21(17-11-13-24-14-12-17)22-25-19-5-1-2-6-20(19)26(22)15-3-4-16-7-9-18(10-8-16)23(28)29/h1-2,5-10,17,24H,3-4,11-15H2,(H,28,29)
InChIKeyMRYVYPYPMBKYIW-UHFFFAOYSA-N
XLogP3.55
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid?
The IUPAC name of 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid (CID 140992645) is 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid.
What is the SMILES notation for 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid?
The canonical SMILES for 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid is O=C(O)c1ccc(CCCn2c(C(=O)C3CCNCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid?
The InChIKey is MRYVYPYPMBKYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c27-21(17-11-13-24-14-12-17)22-25-19-5-1-2-6-20(19)26(22)15-3-4-16-7-9-18(10-8-16)23(28)29/h1-2,5-10,17,24H,3-4,11-15H2,(H,28,29).
What are the key properties of 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid?
4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid has a molecular weight of 391.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(piperidine-4-carbonyl)benzimidazol-1-yl]propyl]benzoic acid is sourced from PubChem (CID 140992645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).