4-chloro-2,5-dipropylimidazole-1-carbonitrile

C10H14ClN3 — CID 14641988

IUPAC4-chloro-2,5-dipropylimidazole-1-carbonitrile
SMILESCCCc1nc(Cl)c(CCC)n1C#N
InChIInChI=1S/C10H14ClN3/c1-3-5-8-10(11)13-9(6-4-2)14(8)7-12/h3-6H2,1-2H3
InChIKeyKWRXPYZPKQKZNF-UHFFFAOYSA-N
MW211.70 g/mol
LogP2.77
Rot. Bonds4

About 4-chloro-2,5-dipropylimidazole-1-carbonitrile

4-chloro-2,5-dipropylimidazole-1-carbonitrile (PubChem CID 14641988) has the molecular formula C10H14ClN3 and a molecular weight of 211.70 g/mol. Its IUPAC name is 4-chloro-2,5-dipropylimidazole-1-carbonitrile.

Molecular Properties

Compound Name4-chloro-2,5-dipropylimidazole-1-carbonitrile
PubChem CID14641988
Molecular FormulaC10H14ClN3
Molecular Weight211.70 g/mol
Exact Mass211.09
IUPAC Name4-chloro-2,5-dipropylimidazole-1-carbonitrile
SMILESCCCc1nc(Cl)c(CCC)n1C#N
InChIInChI=1S/C10H14ClN3/c1-3-5-8-10(11)13-9(6-4-2)14(8)7-12/h3-6H2,1-2H3
InChIKeyKWRXPYZPKQKZNF-UHFFFAOYSA-N
XLogP2.77
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.70
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dipropylimidazole-1-carbonitrile?
The IUPAC name of 4-chloro-2,5-dipropylimidazole-1-carbonitrile (CID 14641988) is 4-chloro-2,5-dipropylimidazole-1-carbonitrile.
What is the SMILES notation for 4-chloro-2,5-dipropylimidazole-1-carbonitrile?
The canonical SMILES for 4-chloro-2,5-dipropylimidazole-1-carbonitrile is CCCc1nc(Cl)c(CCC)n1C#N.
What is the InChIKey of 4-chloro-2,5-dipropylimidazole-1-carbonitrile?
The InChIKey is KWRXPYZPKQKZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3/c1-3-5-8-10(11)13-9(6-4-2)14(8)7-12/h3-6H2,1-2H3.
What are the key properties of 4-chloro-2,5-dipropylimidazole-1-carbonitrile?
4-chloro-2,5-dipropylimidazole-1-carbonitrile has a molecular weight of 211.70 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dipropylimidazole-1-carbonitrile is sourced from PubChem (CID 14641988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).