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

C16H15N3O2 — CID 870180

IUPAC2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-12-8-6-11(7-9-12)17-16(20)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyMHSHRSIFDLFYHI-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.75
Rot. Bonds4

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

2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 870180) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID870180
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Name2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-12-8-6-11(7-9-12)17-16(20)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyMHSHRSIFDLFYHI-UHFFFAOYSA-N
XLogP2.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Oxibendazole
CID 4622
2-(4-methoxyphenyl)-1H-1,3-benzodiazole
CID 345686
2-(2-methoxyphenyl)-1H-benzimidazole
CID 759420
5-methoxy-2-methyl-1H-1,3-benzodiazole
CID 3509826
2-ethyl-1-[(3R)-1-[(5-methoxy-1H-1,3-benzodiazol-2-yl)carbonyl]pyrrolidin-3-yl]-1H-1,3-benzodiazole
CID 24776358
N-[2-(2,6-dimethoxybenzimidazol-1-yl)ethyl]acetamide
CID 139451767
N-[3-(2,6-dimethoxybenzimidazol-1-yl)propyl]acetamide
CID 139451776
2-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole
CID 667675
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitrophenoxy)acetamide
CID 682224
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1H-benzimidazole
CID 4826074
2-Phenoxymethyl-1H-benzoimidazol-5-ylamine
CID 6490168
2-[(4-methoxyphenoxy)methyl]-1H-benzimidazole
CID 394278

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide (CID 870180) is 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is MHSHRSIFDLFYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-12-8-6-11(7-9-12)17-16(20)10-15-18-13-4-2-3-5-14(13)19-15/h2-9H,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide?
2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 870180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).