N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide

C18H16ClN3O — CID 67854928

IUPACN-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1[nH]c(-c2ccccc2)nc1Cl)NCc1ccccc1
InChIInChI=1S/C18H16ClN3O/c19-17-15(21-18(22-17)14-9-5-2-6-10-14)11-16(23)20-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,23)(H,21,22)
InChIKeySRXKSSIFUKMFIK-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.59
Rot. Bonds5

About N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide

N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide (PubChem CID 67854928) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide
PubChem CID67854928
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1[nH]c(-c2ccccc2)nc1Cl)NCc1ccccc1
InChIInChI=1S/C18H16ClN3O/c19-17-15(21-18(22-17)14-9-5-2-6-10-14)11-16(23)20-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,23)(H,21,22)
InChIKeySRXKSSIFUKMFIK-UHFFFAOYSA-N
XLogP3.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide (CID 67854928) is N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide is O=C(Cc1[nH]c(-c2ccccc2)nc1Cl)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide?
The InChIKey is SRXKSSIFUKMFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-17-15(21-18(22-17)14-9-5-2-6-10-14)11-16(23)20-12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,20,23)(H,21,22).
What are the key properties of N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide?
N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide has a molecular weight of 325.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-chloro-2-phenyl-1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 67854928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).