N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide

C18H19N3O2 — CID 166828607

IUPACN-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1C
InChIInChI=1S/C18H19N3O2/c1-12-9-14(7-8-15(12)10-19-13(2)22)11-21-17-6-4-3-5-16(17)20-18(21)23/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMROFVERLVYXOMM-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.32
Rot. Bonds4

About N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide

N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 166828607) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID166828607
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1C
InChIInChI=1S/C18H19N3O2/c1-12-9-14(7-8-15(12)10-19-13(2)22)11-21-17-6-4-3-5-16(17)20-18(21)23/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMROFVERLVYXOMM-UHFFFAOYSA-N
XLogP2.32
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide (CID 166828607) is N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1C.
What is the InChIKey of N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is MROFVERLVYXOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-9-14(7-8-15(12)10-19-13(2)22)11-21-17-6-4-3-5-16(17)20-18(21)23/h3-9H,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide?
N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 166828607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).