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

C9H15ClN2O — CID 23057683

IUPAC2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole
SMILESCCCCc1nc(Cl)c(COC)[nH]1
InChIInChI=1S/C9H15ClN2O/c1-3-4-5-8-11-7(6-13-2)9(10)12-8/h3-6H2,1-2H3,(H,11,12)
InChIKeyPJWZMEAJBFSYAG-UHFFFAOYSA-N
MW202.68 g/mol
LogP2.55
Rot. Bonds5

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

2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole (PubChem CID 23057683) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole
PubChem CID23057683
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole
SMILESCCCCc1nc(Cl)c(COC)[nH]1
InChIInChI=1S/C9H15ClN2O/c1-3-4-5-8-11-7(6-13-2)9(10)12-8/h3-6H2,1-2H3,(H,11,12)
InChIKeyPJWZMEAJBFSYAG-UHFFFAOYSA-N
XLogP2.55
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole?
The IUPAC name of 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole (CID 23057683) is 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole.
What is the SMILES notation for 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole?
The canonical SMILES for 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole is CCCCc1nc(Cl)c(COC)[nH]1.
What is the InChIKey of 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole?
The InChIKey is PJWZMEAJBFSYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-3-4-5-8-11-7(6-13-2)9(10)12-8/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole?
2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole has a molecular weight of 202.68 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(methoxymethyl)-1H-imidazole is sourced from PubChem (CID 23057683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).