N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide

C14H17N3O — CID 60613262

IUPACN-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)9-13(18)17-12-5-3-11(4-6-12)14-15-7-8-16-14/h3-8,10H,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVWVBZVLGZOYVPY-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.06
Rot. Bonds4

About N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide

N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide (PubChem CID 60613262) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
PubChem CID60613262
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C14H17N3O/c1-10(2)9-13(18)17-12-5-3-11(4-6-12)14-15-7-8-16-14/h3-8,10H,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVWVBZVLGZOYVPY-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide
CID 95687743
N-[4-(1H-imidazol-2-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 110726544
2-(4-fluorophenyl)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726518
7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide
CID 119871823
2-(4-fluorophenoxy)-N-[4-(1H-imidazol-2-yl)phenyl]acetamide
CID 110726553
(E)-N-[4-(1H-imidazol-2-yl)phenyl]but-2-enamide
CID 110470252
N-[4-[[(R)-1H-imidazol-2-yl(pyridin-3-yl)methyl]amino]phenyl]-3-methylbutanamide
CID 99843151
3-methyl-N-[4-[5-[4-(3-methylbutanoylamino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]butanamide
CID 132809718
3-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]butanamide
CID 110720173
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
[1-(4-carbamoylanilino)-1-oxobutan-2-yl] 4-(1H-imidazol-2-yl)benzoate
CID 23860488

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide?
The IUPAC name of N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide (CID 60613262) is N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide?
The canonical SMILES for N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide?
The InChIKey is VWVBZVLGZOYVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)9-13(18)17-12-5-3-11(4-6-12)14-15-7-8-16-14/h3-8,10H,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide?
N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide has a molecular weight of 243.31 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-2-yl)phenyl]-3-methylbutanamide is sourced from PubChem (CID 60613262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).