N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide

C16H15N3O2 — CID 110724326

IUPACN-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-2-5-13(6-3-11)21-9-16(20)19-12-4-7-14-15(8-12)18-10-17-14/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyFQZLUPDXYZULMI-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.89
Rot. Bonds4

About N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide

N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 110724326) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
PubChem CID110724326
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C16H15N3O2/c1-11-2-5-13(6-3-11)21-9-16(20)19-12-4-7-14-15(8-12)18-10-17-14/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)
InChIKeyFQZLUPDXYZULMI-UHFFFAOYSA-N
XLogP2.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-methylanilino)-2-oxoethyl] 3H-benzimidazole-5-carboxylate
CID 23773440
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889
N-(3H-benzimidazol-5-yl)-2-(ethylamino)acetamide
CID 115157714
2-(4-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37093998
N-(2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenoxy)acetamide
CID 110729012
N-(3H-benzimidazol-5-yl)-N-methyl-2-(4-methylphenoxy)acetamide
CID 110866861
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-(4-methylphenoxy)-N-(6-oxo-1H-pyridin-3-yl)acetamide
CID 110724905
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
N-(3-amino-4-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 28867302
3H-benzimidazol-5-amine;N-(3H-benzimidazol-5-yl)-2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]acetamide
CID 159938899

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide (CID 110724326) is N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is FQZLUPDXYZULMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-11-2-5-13(6-3-11)21-9-16(20)19-12-4-7-14-15(8-12)18-10-17-14/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide?
N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide has a molecular weight of 281.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110724326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).