6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde

C11H16N2O — CID 63926595

IUPAC6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde
SMILESCCCC1CCc2nc(C=O)[nH]c2C1
InChIInChI=1S/C11H16N2O/c1-2-3-8-4-5-9-10(6-8)13-11(7-14)12-9/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyQUFLZINGZNAXEA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds3

About 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde

6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde (PubChem CID 63926595) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde
PubChem CID63926595
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde
SMILESCCCC1CCc2nc(C=O)[nH]c2C1
InChIInChI=1S/C11H16N2O/c1-2-3-8-4-5-9-10(6-8)13-11(7-14)12-9/h7-8H,2-6H2,1H3,(H,12,13)
InChIKeyQUFLZINGZNAXEA-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde?
The IUPAC name of 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde (CID 63926595) is 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde.
What is the SMILES notation for 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde?
The canonical SMILES for 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde is CCCC1CCc2nc(C=O)[nH]c2C1.
What is the InChIKey of 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde?
The InChIKey is QUFLZINGZNAXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-8-4-5-9-10(6-8)13-11(7-14)12-9/h7-8H,2-6H2,1H3,(H,12,13).
What are the key properties of 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde?
6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde has a molecular weight of 192.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-4,5,6,7-tetrahydro-1H-benzimidazole-2-carbaldehyde is sourced from PubChem (CID 63926595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).