N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide

C20H23N3O2 — CID 18141597

IUPACN-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
SMILESCCCCN(C(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-4-14-22(16-10-6-5-7-11-16)19(24)15-23-18-13-9-8-12-17(18)21(2)20(23)25/h5-13H,3-4,14-15H2,1-2H3
InChIKeyZPGFSKJLISUBKL-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.17
Rot. Bonds6

About N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide

N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide (PubChem CID 18141597) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide.

Molecular Properties

Compound NameN-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
PubChem CID18141597
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
SMILESCCCCN(C(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-4-14-22(16-10-6-5-7-11-16)19(24)15-23-18-13-9-8-12-17(18)21(2)20(23)25/h5-13H,3-4,14-15H2,1-2H3
InChIKeyZPGFSKJLISUBKL-UHFFFAOYSA-N
XLogP3.17
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide?
The IUPAC name of N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide (CID 18141597) is N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide.
What is the SMILES notation for N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide?
The canonical SMILES for N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide is CCCCN(C(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1.
What is the InChIKey of N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide?
The InChIKey is ZPGFSKJLISUBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-4-14-22(16-10-6-5-7-11-16)19(24)15-23-18-13-9-8-12-17(18)21(2)20(23)25/h5-13H,3-4,14-15H2,1-2H3.
What are the key properties of N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide?
N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide is sourced from PubChem (CID 18141597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).