N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide

C22H18N4O4 — CID 46785986

IUPACN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H18N4O4/c1-14-6-7-15(22-24-18-4-2-3-5-19(18)25-22)12-20(14)23-21(27)13-30-17-10-8-16(9-11-17)26(28)29/h2-12H,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyRNXAUPUONSBGQL-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.46
Rot. Bonds6

About N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide

N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide (PubChem CID 46785986) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
PubChem CID46785986
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide
SMILESCc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H18N4O4/c1-14-6-7-15(22-24-18-4-2-3-5-19(18)25-22)12-20(14)23-21(27)13-30-17-10-8-16(9-11-17)26(28)29/h2-12H,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyRNXAUPUONSBGQL-UHFFFAOYSA-N
XLogP4.46
TPSA110.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 17093159
N-(2-methyl-5-nitrophenyl)-2-(4-methylphenoxy)acetamide
CID 695153
N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243
N-(4-nitrophenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155558818
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079
2-(4-iodophenoxy)-N-(2-methyl-5-nitrophenyl)acetamide
CID 55326089
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-methylbutanamide
CID 17296295
2-[3-(4-nitrophenoxy)phenyl]-1H-benzimidazole
CID 132847259
methyl 4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]benzoate
CID 7965140
2-(1-adamantyl)-N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]acetamide
CID 3916771
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 15994533
N-(6-methyl-2-naphthalen-1-ylbenzotriazol-5-yl)-2-(4-nitrophenoxy)acetamide
CID 1291742

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide (CID 46785986) is N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide is Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide?
The InChIKey is RNXAUPUONSBGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-14-6-7-15(22-24-18-4-2-3-5-19(18)25-22)12-20(14)23-21(27)13-30-17-10-8-16(9-11-17)26(28)29/h2-12H,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide?
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide has a molecular weight of 402.41 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 46785986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).