2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide

C16H14N4O3 — CID 7755868

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O3/c1-11-17-14-4-2-3-5-15(14)19(11)10-16(21)18-12-6-8-13(9-7-12)20(22)23/h2-9H,10H2,1H3,(H,18,21)
InChIKeyZYYZBXXIJQWVHR-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.89
Rot. Bonds4

About 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide

2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 7755868) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID7755868
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C16H14N4O3/c1-11-17-14-4-2-3-5-15(14)19(11)10-16(21)18-12-6-8-13(9-7-12)20(22)23/h2-9H,10H2,1H3,(H,18,21)
InChIKeyZYYZBXXIJQWVHR-UHFFFAOYSA-N
XLogP2.89
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
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-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 40540953
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)acetamide
CID 55305652
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
N-phenyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028613
N-(5-chloro-2-pyridinyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40688756
N-(2-methyl-5-nitrophenyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 37347553
[2-(2-nitroanilino)-2-oxoethyl] 2-(2-methylbenzimidazol-1-yl)acetate
CID 3929351
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
2-[2-(4-nitrophenyl)benzimidazol-1-yl]acetic acid
CID 82144952
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
N-(4-methylphenyl)-2-[2-(2-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032745

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide (CID 7755868) is 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide is Cc1nc2ccccc2n1CC(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is ZYYZBXXIJQWVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-11-17-14-4-2-3-5-15(14)19(11)10-16(21)18-12-6-8-13(9-7-12)20(22)23/h2-9H,10H2,1H3,(H,18,21).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide?
2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 310.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 7755868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).