N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide

C22H19N5O3 — CID 76851115

IUPACN-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide
SMILESCc1nc2cc(NC(=O)Cc3ccccn3)ccc2n1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H19N5O3/c1-15-24-20-12-18(25-22(28)13-17-4-2-3-11-23-17)7-10-21(20)26(15)14-16-5-8-19(9-6-16)27(29)30/h2-12H,13-14H2,1H3,(H,25,28)
InChIKeyZHUZGOZJABMNCE-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.88
Rot. Bonds6

About N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide

N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide (PubChem CID 76851115) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide
PubChem CID76851115
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC NameN-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide
SMILESCc1nc2cc(NC(=O)Cc3ccccn3)ccc2n1Cc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C22H19N5O3/c1-15-24-20-12-18(25-22(28)13-17-4-2-3-11-23-17)7-10-21(20)26(15)14-16-5-8-19(9-6-16)27(29)30/h2-12H,13-14H2,1H3,(H,25,28)
InChIKeyZHUZGOZJABMNCE-UHFFFAOYSA-N
XLogP3.88
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415
2-(2-methylbenzimidazol-1-yl)-N-(4-nitrophenyl)acetamide
CID 7755868
N-(2-methyl-5-nitrophenyl)-2-pyridin-2-ylacetamide
CID 110468231
N-(3-hydroxy-4-methylphenyl)-2-pyridin-2-ylacetamide
CID 64794376
2-(4-nitrophenyl)-N-pyrimidin-2-ylacetamide
CID 3575830
N-(3,4-dimethylphenyl)-2-(4-nitrophenyl)acetamide
CID 4536667
N-(2-methyl-1-phenylbenzimidazol-5-yl)-4-nitrobenzamide
CID 5011969
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
2-methyl-1-[(3-nitrophenyl)methyl]benzimidazole
CID 78906418
potassium N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide
CID 23717741
potassium;N-(benzenesulfonyl)-2-methyl-3-[(4-nitrophenyl)methyl]benzimidazole-5-carboxamide;hydride
CID 173201492
2-(4-nitrophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)acetamide
CID 3013317

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide (CID 76851115) is N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide is Cc1nc2cc(NC(=O)Cc3ccccn3)ccc2n1Cc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide?
The InChIKey is ZHUZGOZJABMNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-15-24-20-12-18(25-22(28)13-17-4-2-3-11-23-17)7-10-21(20)26(15)14-16-5-8-19(9-6-16)27(29)30/h2-12H,13-14H2,1H3,(H,25,28).
What are the key properties of N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide?
N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide has a molecular weight of 401.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(4-nitrophenyl)methyl]benzimidazol-5-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 76851115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).