2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile

C10H14N4 — CID 19706099

IUPAC2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile
SMILESCCCCCC1NC(C#N)=C(C#N)N1
InChIInChI=1S/C10H14N4/c1-2-3-4-5-10-13-8(6-11)9(7-12)14-10/h10,13-14H,2-5H2,1H3
InChIKeyLAQODPJXRMPQPW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.34
Rot. Bonds4

About 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile

2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile (PubChem CID 19706099) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile
PubChem CID19706099
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile
SMILESCCCCCC1NC(C#N)=C(C#N)N1
InChIInChI=1S/C10H14N4/c1-2-3-4-5-10-13-8(6-11)9(7-12)14-10/h10,13-14H,2-5H2,1H3
InChIKeyLAQODPJXRMPQPW-UHFFFAOYSA-N
XLogP1.34
TPSA71.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tridecylimidazolidine
CID 54282172
2-undecylimidazolidin-4-one
CID 175066208
(5-cyano-4-pentyl-1,4-dihydropyridin-3-yl) hydrogen carbonate
CID 67018084
2,4,6-tributyl-1,3,5-triazinane
CID 12508643
hexane;tetrahydrate
CID 174107213
2-(4-pentyl-1,3-thiazolidin-2-ylidene)propanedinitrile
CID 87309589
(2S,3S)-2,3-dimethoxy-1,2,3,4-tetrahydropyrazine-5,6-dicarbonitrile
CID 71408324
(2R,5S)-2,5-dipentylpyrrolidine
CID 15831903
hexane;pentylcyclopropane
CID 159592467
4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzonitrile
CID 19099062
ethanol;2-undecyl-2,3-dihydro-1H-imidazole
CID 174912710
4-methylidene-5-pentylimidazolidin-2-one
CID 174379713

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile?
The IUPAC name of 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile (CID 19706099) is 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile is CCCCCC1NC(C#N)=C(C#N)N1.
What is the InChIKey of 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile?
The InChIKey is LAQODPJXRMPQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-2-3-4-5-10-13-8(6-11)9(7-12)14-10/h10,13-14H,2-5H2,1H3.
What are the key properties of 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile?
2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-2,3-dihydro-1H-imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 19706099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).