N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide

C15H19N3O2 — CID 110473875

IUPACN-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCn1ccnc1NC(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-12-7-5-11(6-8-12)13(19)17-14-16-9-10-18(14)4/h5-10H,1-4H3,(H,16,17,19)
InChIKeySTCNSCMGKHJJDI-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.85
Rot. Bonds3

About N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide

N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 110473875) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID110473875
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCn1ccnc1NC(=O)c1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C15H19N3O2/c1-15(2,3)20-12-7-5-11(6-8-12)13(19)17-14-16-9-10-18(14)4/h5-10H,1-4H3,(H,16,17,19)
InChIKeySTCNSCMGKHJJDI-UHFFFAOYSA-N
XLogP2.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide (CID 110473875) is N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide is Cn1ccnc1NC(=O)c1ccc(OC(C)(C)C)cc1.
What is the InChIKey of N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is STCNSCMGKHJJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,3)20-12-7-5-11(6-8-12)13(19)17-14-16-9-10-18(14)4/h5-10H,1-4H3,(H,16,17,19).
What are the key properties of N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide?
N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 273.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylimidazol-2-yl)-4-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 110473875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).