2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide

C23H25N5O3 — CID 174578276

IUPAC2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1-n1ccnc1C1CCCCC1
InChIInChI=1S/C23H25N5O3/c1-26(16-18-9-5-6-12-24-18)23(29)20-11-10-19(28(30)31)15-21(20)27-14-13-25-22(27)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8,16H2,1H3
InChIKeyIZNLVYOCAAJRJL-UHFFFAOYSA-N
MW419.49 g/mol
LogP4.50
Rot. Bonds6

About 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide

2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 174578276) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID174578276
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1-n1ccnc1C1CCCCC1
InChIInChI=1S/C23H25N5O3/c1-26(16-18-9-5-6-12-24-18)23(29)20-11-10-19(28(30)31)15-21(20)27-14-13-25-22(27)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8,16H2,1H3
InChIKeyIZNLVYOCAAJRJL-UHFFFAOYSA-N
XLogP4.50
TPSA94.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.50
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 174578276) is 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide is CN(Cc1ccccn1)C(=O)c1ccc([N+](=O)[O-])cc1-n1ccnc1C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is IZNLVYOCAAJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-26(16-18-9-5-6-12-24-18)23(29)20-11-10-19(28(30)31)15-21(20)27-14-13-25-22(27)17-7-3-2-4-8-17/h5-6,9-15,17H,2-4,7-8,16H2,1H3.
What are the key properties of 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide?
2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 419.49 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimidazol-1-yl)-N-methyl-4-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 174578276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).