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

C17H17N3O2 — CID 166828672

IUPACN-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C17H17N3O2/c1-12(21)18-10-13-6-8-14(9-7-13)11-20-16-5-3-2-4-15(16)19-17(20)22/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyATPDYWFULNVUFO-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.01
Rot. Bonds4

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

N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 166828672) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID166828672
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C17H17N3O2/c1-12(21)18-10-13-6-8-14(9-7-13)11-20-16-5-3-2-4-15(16)19-17(20)22/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyATPDYWFULNVUFO-UHFFFAOYSA-N
XLogP2.01
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide (CID 166828672) is N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(Cn2c(=O)[nH]c3ccccc32)cc1.
What is the InChIKey of N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is ATPDYWFULNVUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12(21)18-10-13-6-8-14(9-7-13)11-20-16-5-3-2-4-15(16)19-17(20)22/h2-9H,10-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide?
N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 295.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 166828672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).