2-(1H-imidazol-2-yl)-2-methoxypentanamide

C9H15N3O2 — CID 140540842

IUPAC2-(1H-imidazol-2-yl)-2-methoxypentanamide
SMILESCCCC(OC)(C(N)=O)c1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-9(14-2,7(10)13)8-11-5-6-12-8/h5-6H,3-4H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyWXURMFXMYGZWPO-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.54
Rot. Bonds5

About 2-(1H-imidazol-2-yl)-2-methoxypentanamide

2-(1H-imidazol-2-yl)-2-methoxypentanamide (PubChem CID 140540842) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-2-methoxypentanamide.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-2-methoxypentanamide
PubChem CID140540842
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(1H-imidazol-2-yl)-2-methoxypentanamide
SMILESCCCC(OC)(C(N)=O)c1ncc[nH]1
InChIInChI=1S/C9H15N3O2/c1-3-4-9(14-2,7(10)13)8-11-5-6-12-8/h5-6H,3-4H2,1-2H3,(H2,10,13)(H,11,12)
InChIKeyWXURMFXMYGZWPO-UHFFFAOYSA-N
XLogP0.54
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-yl)pentan-2-ol
CID 91811688
1-(1H-imidazol-2-yl)-1-phenylbutan-1-ol
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2-(2-methylhexan-2-yl)-1H-imidazole
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2-(2-methoxypropan-2-yl)-1H-imidazole
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1-[4-[1H-imidazol-2-yl(diphenyl)methyl]phenyl]butan-1-one
CID 70467853
2-(7-methyltridecan-7-yl)-1H-imidazole
CID 134415132
2-amino-5-(1H-imidazol-2-ylsulfanyl)-2-methylpentanamide
CID 107781855
2-hexadecyl-1H-imidazole;urea
CID 174763574
[1-(1H-imidazol-2-yl)-2,2-dimethylpropyl] carbamate
CID 175546665
ethane;ethyl 1H-imidazole-2-carboxylate
CID 143717895
1-[4-[1-(dimethylamino)-1-(1H-imidazol-2-yl)propyl]phenyl]ethanone
CID 20544180
2,2-bis[1-(1H-imidazol-2-yl)propyl]hexanediamide
CID 175694699

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-2-methoxypentanamide?
The IUPAC name of 2-(1H-imidazol-2-yl)-2-methoxypentanamide (CID 140540842) is 2-(1H-imidazol-2-yl)-2-methoxypentanamide.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-2-methoxypentanamide?
The canonical SMILES for 2-(1H-imidazol-2-yl)-2-methoxypentanamide is CCCC(OC)(C(N)=O)c1ncc[nH]1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-2-methoxypentanamide?
The InChIKey is WXURMFXMYGZWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-9(14-2,7(10)13)8-11-5-6-12-8/h5-6H,3-4H2,1-2H3,(H2,10,13)(H,11,12).
What are the key properties of 2-(1H-imidazol-2-yl)-2-methoxypentanamide?
2-(1H-imidazol-2-yl)-2-methoxypentanamide has a molecular weight of 197.24 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-2-methoxypentanamide is sourced from PubChem (CID 140540842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).