(2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide

C15H17Cl2N3O — CID 56867164

IUPAC(2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide
SMILESCc1ccc(-c2nccn2[C@H](C(N)=O)C(C)C)c(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-8(2)13(14(18)21)20-7-6-19-15(20)10-5-4-9(3)11(16)12(10)17/h4-8,13H,1-3H3,(H2,18,21)/t13-/m0/s1
InChIKeyZXOPTVBKJVTDNP-ZDUSSCGKSA-N
MW326.23 g/mol
LogP3.85
Rot. Bonds4

About (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide

(2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide (PubChem CID 56867164) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide
PubChem CID56867164
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name(2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide
SMILESCc1ccc(-c2nccn2[C@H](C(N)=O)C(C)C)c(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N3O/c1-8(2)13(14(18)21)20-7-6-19-15(20)10-5-4-9(3)11(16)12(10)17/h4-8,13H,1-3H3,(H2,18,21)/t13-/m0/s1
InChIKeyZXOPTVBKJVTDNP-ZDUSSCGKSA-N
XLogP3.85
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide?
The IUPAC name of (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide (CID 56867164) is (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide is Cc1ccc(-c2nccn2[C@H](C(N)=O)C(C)C)c(Cl)c1Cl.
What is the InChIKey of (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide?
The InChIKey is ZXOPTVBKJVTDNP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c1-8(2)13(14(18)21)20-7-6-19-15(20)10-5-4-9(3)11(16)12(10)17/h4-8,13H,1-3H3,(H2,18,21)/t13-/m0/s1.
What are the key properties of (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide?
(2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide has a molecular weight of 326.23 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,3-dichloro-4-methylphenyl)imidazol-1-yl]-3-methylbutanamide is sourced from PubChem (CID 56867164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).