2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde

C14H15Cl2N3O — CID 89345103

IUPAC2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde
SMILESO=CCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H15Cl2N3O/c15-10-7-12-13(8-11(10)16)19(5-6-20)14(18-12)9-1-3-17-4-2-9/h6-9,17H,1-5H2
InChIKeyZYEAKUCHYZYHEE-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.01
Rot. Bonds3

About 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde

2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde (PubChem CID 89345103) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde
PubChem CID89345103
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde
SMILESO=CCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H15Cl2N3O/c15-10-7-12-13(8-11(10)16)19(5-6-20)14(18-12)9-1-3-17-4-2-9/h6-9,17H,1-5H2
InChIKeyZYEAKUCHYZYHEE-UHFFFAOYSA-N
XLogP3.01
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde?
The IUPAC name of 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde (CID 89345103) is 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde.
What is the SMILES notation for 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde?
The canonical SMILES for 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde is O=CCn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde?
The InChIKey is ZYEAKUCHYZYHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-10-7-12-13(8-11(10)16)19(5-6-20)14(18-12)9-1-3-17-4-2-9/h6-9,17H,1-5H2.
What are the key properties of 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde?
2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde has a molecular weight of 312.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-2-piperidin-4-ylbenzimidazol-1-yl)acetaldehyde is sourced from PubChem (CID 89345103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).