N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide

C16H15N3O2 — CID 1088929

IUPACN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NC(C)=O)cc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-10(20)17-12-5-8-14-15(9-12)19-16(18-14)11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyZMDUSHIYBRBVDM-UHFFFAOYSA-N
MW281.32 g/mol
LogP3.20
Rot. Bonds3

About N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide

N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide (PubChem CID 1088929) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide
PubChem CID1088929
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NC(C)=O)cc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-10(20)17-12-5-8-14-15(9-12)19-16(18-14)11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H,17,20)(H,18,19)
InChIKeyZMDUSHIYBRBVDM-UHFFFAOYSA-N
XLogP3.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide (CID 1088929) is N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide is COc1ccc(-c2nc3ccc(NC(C)=O)cc3[nH]2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide?
The InChIKey is ZMDUSHIYBRBVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(20)17-12-5-8-14-15(9-12)19-16(18-14)11-3-6-13(21-2)7-4-11/h3-9H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide?
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 1088929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).