1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

C12H22ClN3O — CID 82719572

IUPAC1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCCCCc1nc(Cl)c(CNOC(C)(C)C)[nH]1
InChIInChI=1S/C12H22ClN3O/c1-5-6-7-10-15-9(11(13)16-10)8-14-17-12(2,3)4/h14H,5-8H2,1-4H3,(H,15,16)
InChIKeyYLWDEVSZWKCYQI-UHFFFAOYSA-N
MW259.78 g/mol
LogP3.23
Rot. Bonds6

About 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine

1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (PubChem CID 82719572) has the molecular formula C12H22ClN3O and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.

Molecular Properties

Compound Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
PubChem CID82719572
Molecular FormulaC12H22ClN3O
Molecular Weight259.78 g/mol
Exact Mass259.15
IUPAC Name1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
SMILESCCCCc1nc(Cl)c(CNOC(C)(C)C)[nH]1
InChIInChI=1S/C12H22ClN3O/c1-5-6-7-10-15-9(11(13)16-10)8-14-17-12(2,3)4/h14H,5-8H2,1-4H3,(H,15,16)
InChIKeyYLWDEVSZWKCYQI-UHFFFAOYSA-N
XLogP3.23
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-methylpentan-2-amine
CID 113471623
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210296
2-[3-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]propoxy]ethanol
CID 107095406
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 107095487
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]thiadiazol-5-amine
CID 107649352
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-methylpiperazin-1-amine
CID 83010483
2-butyl-4-chloro-5-(2-methylpropyl)-1H-imidazole
CID 58592722
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-4-chloro-3-methoxyaniline
CID 107272155
5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methylamino]-2-methylpentan-1-ol
CID 107095280
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 107095115
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]pent-1-yn-3-amine
CID 106224939
N-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-2-chloro-4,6-difluoroaniline
CID 83073048

Frequently Asked Questions

What is the IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The IUPAC name of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine (CID 82719572) is 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine.
What is the SMILES notation for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The canonical SMILES for 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine is CCCCc1nc(Cl)c(CNOC(C)(C)C)[nH]1.
What is the InChIKey of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
The InChIKey is YLWDEVSZWKCYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN3O/c1-5-6-7-10-15-9(11(13)16-10)8-14-17-12(2,3)4/h14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine?
1-(2-butyl-4-chloro-1H-imidazol-5-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine has a molecular weight of 259.78 g/mol, XLogP of 3.23, 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)-N-[(2-methylpropan-2-yl)oxy]methanamine is sourced from PubChem (CID 82719572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).