N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide

C16H15N3O2 — CID 614315

IUPACN-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-11(20)19(12-7-9-13(21-2)10-8-12)16-17-14-5-3-4-6-15(14)18-16/h3-10H,1-2H3,(H,17,18)
InChIKeyOXXHSRLOJJBGCQ-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.26
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide

N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 614315) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID614315
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(C)=O)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-11(20)19(12-7-9-13(21-2)10-8-12)16-17-14-5-3-4-6-15(14)18-16/h3-10H,1-2H3,(H,17,18)
InChIKeyOXXHSRLOJJBGCQ-UHFFFAOYSA-N
XLogP3.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide (CID 614315) is N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(C)=O)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is OXXHSRLOJJBGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11(20)19(12-7-9-13(21-2)10-8-12)16-17-14-5-3-4-6-15(14)18-16/h3-10H,1-2H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide?
N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 614315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).