N-benzhydryl-2-imidazol-1-yl-N-methylacetamide

C19H19N3O — CID 166627346

IUPACN-benzhydryl-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-21(18(23)14-22-13-12-20-15-22)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3
InChIKeyDASJLYSANZOJQC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.13
Rot. Bonds5

About N-benzhydryl-2-imidazol-1-yl-N-methylacetamide

N-benzhydryl-2-imidazol-1-yl-N-methylacetamide (PubChem CID 166627346) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-benzhydryl-2-imidazol-1-yl-N-methylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-imidazol-1-yl-N-methylacetamide
PubChem CID166627346
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-benzhydryl-2-imidazol-1-yl-N-methylacetamide
SMILESCN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H19N3O/c1-21(18(23)14-22-13-12-20-15-22)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3
InChIKeyDASJLYSANZOJQC-UHFFFAOYSA-N
XLogP3.13
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-imidazol-1-yl-N-methylacetamide?
The IUPAC name of N-benzhydryl-2-imidazol-1-yl-N-methylacetamide (CID 166627346) is N-benzhydryl-2-imidazol-1-yl-N-methylacetamide.
What is the SMILES notation for N-benzhydryl-2-imidazol-1-yl-N-methylacetamide?
The canonical SMILES for N-benzhydryl-2-imidazol-1-yl-N-methylacetamide is CN(C(=O)Cn1ccnc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-imidazol-1-yl-N-methylacetamide?
The InChIKey is DASJLYSANZOJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-21(18(23)14-22-13-12-20-15-22)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-13,15,19H,14H2,1H3.
What are the key properties of N-benzhydryl-2-imidazol-1-yl-N-methylacetamide?
N-benzhydryl-2-imidazol-1-yl-N-methylacetamide has a molecular weight of 305.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-imidazol-1-yl-N-methylacetamide is sourced from PubChem (CID 166627346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).