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

C13H23ClN4O — CID 56705822

IUPAC[4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine
SMILESCCCCc1nc(Cl)c(CN2CCOC(CN)C2)[nH]1
InChIInChI=1S/C13H23ClN4O/c1-2-3-4-12-16-11(13(14)17-12)9-18-5-6-19-10(7-15)8-18/h10H,2-9,15H2,1H3,(H,16,17)
InChIKeyLYXSTHQJABHYQD-UHFFFAOYSA-N
MW286.81 g/mol
LogP1.57
Rot. Bonds6

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

[4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine (PubChem CID 56705822) has the molecular formula C13H23ClN4O and a molecular weight of 286.81 g/mol. Its IUPAC name is [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine.

Molecular Properties

Compound Name[4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine
PubChem CID56705822
Molecular FormulaC13H23ClN4O
Molecular Weight286.81 g/mol
Exact Mass286.16
IUPAC Name[4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine
SMILESCCCCc1nc(Cl)c(CN2CCOC(CN)C2)[nH]1
InChIInChI=1S/C13H23ClN4O/c1-2-3-4-12-16-11(13(14)17-12)9-18-5-6-19-10(7-15)8-18/h10H,2-9,15H2,1H3,(H,16,17)
InChIKeyLYXSTHQJABHYQD-UHFFFAOYSA-N
XLogP1.57
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine?
The IUPAC name of [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine (CID 56705822) is [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine.
What is the SMILES notation for [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine?
The canonical SMILES for [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine is CCCCc1nc(Cl)c(CN2CCOC(CN)C2)[nH]1.
What is the InChIKey of [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine?
The InChIKey is LYXSTHQJABHYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClN4O/c1-2-3-4-12-16-11(13(14)17-12)9-18-5-6-19-10(7-15)8-18/h10H,2-9,15H2,1H3,(H,16,17).
What are the key properties of [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine?
[4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine has a molecular weight of 286.81 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]morpholin-2-yl]methanamine is sourced from PubChem (CID 56705822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).