2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole

C11H19ClN2 — CID 58592722

IUPAC2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
SMILESCCCCc1nc(Cl)c(CC(C)C)[nH]1
InChIInChI=1S/C11H19ClN2/c1-4-5-6-10-13-9(7-8(2)3)11(12)14-10/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyRNDCEFJFMJJBAU-UHFFFAOYSA-N
MW214.74 g/mol
LogP3.60
Rot. Bonds5

About 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole

2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole (PubChem CID 58592722) has the molecular formula C11H19ClN2 and a molecular weight of 214.74 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
PubChem CID58592722
Molecular FormulaC11H19ClN2
Molecular Weight214.74 g/mol
Exact Mass214.12
IUPAC Name2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
SMILESCCCCc1nc(Cl)c(CC(C)C)[nH]1
InChIInChI=1S/C11H19ClN2/c1-4-5-6-10-13-9(7-8(2)3)11(12)14-10/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyRNDCEFJFMJJBAU-UHFFFAOYSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.74
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole?
The IUPAC name of 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole (CID 58592722) is 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole.
What is the SMILES notation for 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole?
The canonical SMILES for 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole is CCCCc1nc(Cl)c(CC(C)C)[nH]1.
What is the InChIKey of 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole?
The InChIKey is RNDCEFJFMJJBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2/c1-4-5-6-10-13-9(7-8(2)3)11(12)14-10/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole?
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole has a molecular weight of 214.74 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole is sourced from PubChem (CID 58592722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).