4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde

C19H25N3O2 — CID 21471554

IUPAC4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C19H25N3O2/c23-13-14-5-7-15(8-6-14)21-11-9-16(10-12-21)22-18-4-2-1-3-17(18)20-19(22)24/h1-4,13-16H,5-12H2,(H,20,24)
InChIKeyQVQJVKCQKVFTPX-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.72
Rot. Bonds3

About 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde

4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde (PubChem CID 21471554) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
PubChem CID21471554
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C19H25N3O2/c23-13-14-5-7-15(8-6-14)21-11-9-16(10-12-21)22-18-4-2-1-3-17(18)20-19(22)24/h1-4,13-16H,5-12H2,(H,20,24)
InChIKeyQVQJVKCQKVFTPX-UHFFFAOYSA-N
XLogP2.72
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.72
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 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde?
The IUPAC name of 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde (CID 21471554) is 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde is O=CC1CCC(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde?
The InChIKey is QVQJVKCQKVFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-13-14-5-7-15(8-6-14)21-11-9-16(10-12-21)22-18-4-2-1-3-17(18)20-19(22)24/h1-4,13-16H,5-12H2,(H,20,24).
What are the key properties of 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde?
4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde has a molecular weight of 327.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 21471554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).