1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole

C10H16N2 — CID 174880976

IUPAC1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole
SMILESCCc1c(C)ncn1CC1CC1
InChIInChI=1S/C10H16N2/c1-3-10-8(2)11-7-12(10)6-9-4-5-9/h7,9H,3-6H2,1-2H3
InChIKeyKQNQTOTXEBMIFU-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.16
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole

1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole (PubChem CID 174880976) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole
PubChem CID174880976
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole
SMILESCCc1c(C)ncn1CC1CC1
InChIInChI=1S/C10H16N2/c1-3-10-8(2)11-7-12(10)6-9-4-5-9/h7,9H,3-6H2,1-2H3
InChIKeyKQNQTOTXEBMIFU-UHFFFAOYSA-N
XLogP2.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole (CID 174880976) is 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole is CCc1c(C)ncn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole?
The InChIKey is KQNQTOTXEBMIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-10-8(2)11-7-12(10)6-9-4-5-9/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole?
1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole has a molecular weight of 164.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-ethyl-4-methylimidazole is sourced from PubChem (CID 174880976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).