[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

C13H23ClN4 — CID 56700833

IUPAC[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCCCc1nc(Cl)c(CN2CCC(CN)C2)[nH]1
InChIInChI=1S/C13H23ClN4/c1-2-3-4-12-16-11(13(14)17-12)9-18-6-5-10(7-15)8-18/h10H,2-9,15H2,1H3,(H,16,17)
InChIKeyAOZADIKAZVPROE-UHFFFAOYSA-N
MW270.81 g/mol
LogP2.19
Rot. Bonds6

About [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine

[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (PubChem CID 56700833) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
PubChem CID56700833
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
SMILESCCCCc1nc(Cl)c(CN2CCC(CN)C2)[nH]1
InChIInChI=1S/C13H23ClN4/c1-2-3-4-12-16-11(13(14)17-12)9-18-6-5-10(7-15)8-18/h10H,2-9,15H2,1H3,(H,16,17)
InChIKeyAOZADIKAZVPROE-UHFFFAOYSA-N
XLogP2.19
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine (CID 56700833) is [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is CCCCc1nc(Cl)c(CN2CCC(CN)C2)[nH]1.
What is the InChIKey of [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
The InChIKey is AOZADIKAZVPROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-2-3-4-12-16-11(13(14)17-12)9-18-6-5-10(7-15)8-18/h10H,2-9,15H2,1H3,(H,16,17).
What are the key properties of [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine?
[1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine has a molecular weight of 270.81 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 56700833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).