N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide

C18H17N3O — CID 135280728

IUPACN-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)cc1
InChIInChI=1S/C18H17N3O/c1-12-17(14-6-4-3-5-7-14)21-18(19-12)15-8-10-16(11-9-15)20-13(2)22/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeySMSCTVHLNPCINL-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.01
Rot. Bonds3

About N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide

N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide (PubChem CID 135280728) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
PubChem CID135280728
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)cc1
InChIInChI=1S/C18H17N3O/c1-12-17(14-6-4-3-5-7-14)21-18(19-12)15-8-10-16(11-9-15)20-13(2)22/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeySMSCTVHLNPCINL-UHFFFAOYSA-N
XLogP4.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide (CID 135280728) is N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)cc1.
What is the InChIKey of N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide?
The InChIKey is SMSCTVHLNPCINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-12-17(14-6-4-3-5-7-14)21-18(19-12)15-8-10-16(11-9-15)20-13(2)22/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide?
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 135280728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).