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

C10H18N2O — CID 174378306

IUPAC1,3-dipropyl-2H-imidazole-2-carbaldehyde
SMILESCCCN1C=CN(CCC)C1C=O
InChIInChI=1S/C10H18N2O/c1-3-5-11-7-8-12(6-4-2)10(11)9-13/h7-10H,3-6H2,1-2H3
InChIKeyIQEZMRJAGVJTPY-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.42
Rot. Bonds5

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

1,3-dipropyl-2H-imidazole-2-carbaldehyde (PubChem CID 174378306) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1,3-dipropyl-2H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1,3-dipropyl-2H-imidazole-2-carbaldehyde
PubChem CID174378306
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1,3-dipropyl-2H-imidazole-2-carbaldehyde
SMILESCCCN1C=CN(CCC)C1C=O
InChIInChI=1S/C10H18N2O/c1-3-5-11-7-8-12(6-4-2)10(11)9-13/h7-10H,3-6H2,1-2H3
InChIKeyIQEZMRJAGVJTPY-UHFFFAOYSA-N
XLogP1.42
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-3-propyl-2H-imidazol-2-yl) formate
CID 87198604
1,3-dibutyl-2H-imidazole-2-carbaldehyde;quinoline
CID 174389939
1,2-dimethyl-3-propyl-2H-imidazole;hydrate
CID 172840578
acetic acid;1,2-dimethyl-3-propyl-2H-imidazole
CID 175284905
2-butyl-1-pentyl-3-propyl-2H-imidazole
CID 69393586
2-hexyl-1-octadecyl-3-propyl-2H-imidazole
CID 69390514
2-dodecyl-1-hexyl-3-propyl-2H-imidazole
CID 69389075
2-pentadecyl-1-propyl-3-tridecyl-2H-imidazole
CID 69391434
2-hexyl-1-nonadecyl-3-propyl-2H-imidazole
CID 69390950
1-pentyl-3-propyl-2-tridecyl-2H-imidazole
CID 69386489
1-octadecyl-2,3-dipropyl-2H-imidazole
CID 69386966
1-propyl-2,3-di(tridecyl)-2H-imidazole
CID 69395493

Frequently Asked Questions

What is the IUPAC name of 1,3-dipropyl-2H-imidazole-2-carbaldehyde?
The IUPAC name of 1,3-dipropyl-2H-imidazole-2-carbaldehyde (CID 174378306) is 1,3-dipropyl-2H-imidazole-2-carbaldehyde.
What is the SMILES notation for 1,3-dipropyl-2H-imidazole-2-carbaldehyde?
The canonical SMILES for 1,3-dipropyl-2H-imidazole-2-carbaldehyde is CCCN1C=CN(CCC)C1C=O.
What is the InChIKey of 1,3-dipropyl-2H-imidazole-2-carbaldehyde?
The InChIKey is IQEZMRJAGVJTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-5-11-7-8-12(6-4-2)10(11)9-13/h7-10H,3-6H2,1-2H3.
What are the key properties of 1,3-dipropyl-2H-imidazole-2-carbaldehyde?
1,3-dipropyl-2H-imidazole-2-carbaldehyde has a molecular weight of 182.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dipropyl-2H-imidazole-2-carbaldehyde is sourced from PubChem (CID 174378306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).