2,3-dipropyl-1H-benzimidazole-2-carbaldehyde

C14H20N2O — CID 175299731

IUPAC2,3-dipropyl-1H-benzimidazole-2-carbaldehyde
SMILESCCCN1c2ccccc2NC1(C=O)CCC
InChIInChI=1S/C14H20N2O/c1-3-9-14(11-17)15-12-7-5-6-8-13(12)16(14)10-4-2/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyHQGOZYGKACUQHU-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.02
Rot. Bonds5

About 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde

2,3-dipropyl-1H-benzimidazole-2-carbaldehyde (PubChem CID 175299731) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name2,3-dipropyl-1H-benzimidazole-2-carbaldehyde
PubChem CID175299731
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2,3-dipropyl-1H-benzimidazole-2-carbaldehyde
SMILESCCCN1c2ccccc2NC1(C=O)CCC
InChIInChI=1S/C14H20N2O/c1-3-9-14(11-17)15-12-7-5-6-8-13(12)16(14)10-4-2/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyHQGOZYGKACUQHU-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde?
The IUPAC name of 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde (CID 175299731) is 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde.
What is the SMILES notation for 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde?
The canonical SMILES for 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde is CCCN1c2ccccc2NC1(C=O)CCC.
What is the InChIKey of 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde?
The InChIKey is HQGOZYGKACUQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-9-14(11-17)15-12-7-5-6-8-13(12)16(14)10-4-2/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde?
2,3-dipropyl-1H-benzimidazole-2-carbaldehyde has a molecular weight of 232.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dipropyl-1H-benzimidazole-2-carbaldehyde is sourced from PubChem (CID 175299731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).