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

C14H17N3O — CID 95687743

IUPAC(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C14H17N3O/c1-3-10(2)14(18)17-12-6-4-11(5-7-12)13-15-8-9-16-13/h4-10H,3H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyWMDWMICPOKYCKF-SNVBAGLBSA-N
MW243.31 g/mol
LogP3.06
Rot. Bonds4

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

(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide (PubChem CID 95687743) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide.

Molecular Properties

Compound Name(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide
PubChem CID95687743
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide
SMILESCC[C@@H](C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C14H17N3O/c1-3-10(2)14(18)17-12-6-4-11(5-7-12)13-15-8-9-16-13/h4-10H,3H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1
InChIKeyWMDWMICPOKYCKF-SNVBAGLBSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide?
The IUPAC name of (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide (CID 95687743) is (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide.
What is the SMILES notation for (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide?
The canonical SMILES for (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide is CC[C@@H](C)C(=O)Nc1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide?
The InChIKey is WMDWMICPOKYCKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-10(2)14(18)17-12-6-4-11(5-7-12)13-15-8-9-16-13/h4-10H,3H2,1-2H3,(H,15,16)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide?
(2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-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 (2R)-N-[4-(1H-imidazol-2-yl)phenyl]-2-methylbutanamide is sourced from PubChem (CID 95687743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).