N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide

C17H17N3O — CID 799448

IUPACN-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)11-20-16-6-4-3-5-15(16)19-17(20)18-13(2)21/h3-10H,11H2,1-2H3,(H,18,19,21)
InChIKeyOVGGVTZRXMSGQD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.35
Rot. Bonds3

About N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide

N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide (PubChem CID 799448) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide
PubChem CID799448
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccccc2n1Cc1ccc(C)cc1
InChIInChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)11-20-16-6-4-3-5-15(16)19-17(20)18-13(2)21/h3-10H,11H2,1-2H3,(H,18,19,21)
InChIKeyOVGGVTZRXMSGQD-UHFFFAOYSA-N
XLogP3.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide?
The IUPAC name of N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide (CID 799448) is N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccccc2n1Cc1ccc(C)cc1.
What is the InChIKey of N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide?
The InChIKey is OVGGVTZRXMSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)11-20-16-6-4-3-5-15(16)19-17(20)18-13(2)21/h3-10H,11H2,1-2H3,(H,18,19,21).
What are the key properties of N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide?
N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide has a molecular weight of 279.34 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetamide is sourced from PubChem (CID 799448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).