N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide

C15H19N3O — CID 134598612

IUPACN-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C15H19N3O/c1-11(2)12-4-3-5-13(10-12)15(19)18-7-6-14-16-8-9-17-14/h3-5,8-11H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFOZPTKCITGTFEM-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide

N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide (PubChem CID 134598612) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
PubChem CID134598612
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide
SMILESCC(C)c1cccc(C(=O)NCCc2ncc[nH]2)c1
InChIInChI=1S/C15H19N3O/c1-11(2)12-4-3-5-13(10-12)15(19)18-7-6-14-16-8-9-17-14/h3-5,8-11H,6-7H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyFOZPTKCITGTFEM-UHFFFAOYSA-N
XLogP2.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]benzamide
CID 115620189
N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethyl-1,4-dihydroquinoxaline-6-carboxamide
CID 91901456
N-[2-(1H-imidazol-2-yl)ethyl]-5-methylfuran-3-carboxamide
CID 114821905
N-[2-[2-(1H-imidazol-2-yl)ethylamino]-2-oxoethyl]benzamide
CID 115620128
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 115620204
3-fluoro-N-[2-(1H-imidazol-2-yl)ethyl]-5-methylbenzamide
CID 115668440
2-(2,6-difluorophenyl)-N-[2-(1H-imidazol-2-yl)ethyl]acetamide
CID 115686762
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882
N-[2-(1H-imidazol-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 115620327
N-[3-(1H-imidazol-2-yl)propyl]-3-[(3S)-piperidin-3-yl]benzamide
CID 97200911
3-amino-N-[2-(1H-imidazol-2-yl)ethyl]-3-phenylpropanamide
CID 115748951

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide (CID 134598612) is N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide is CC(C)c1cccc(C(=O)NCCc2ncc[nH]2)c1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide?
The InChIKey is FOZPTKCITGTFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(2)12-4-3-5-13(10-12)15(19)18-7-6-14-16-8-9-17-14/h3-5,8-11H,6-7H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide?
N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]-3-propan-2-ylbenzamide is sourced from PubChem (CID 134598612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).