5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide

C23H19FN4O5 — CID 55729564

IUPAC5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C23H19FN4O5/c1-3-33-21-11-16(19(28(30)31)12-20(21)32-2)23(29)25-15-8-9-17-18(10-15)27-22(26-17)13-4-6-14(24)7-5-13/h4-12H,3H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyXMSFZPALWJWTCI-UHFFFAOYSA-N
MW450.43 g/mol
LogP4.94
Rot. Bonds7

About 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide

5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide (PubChem CID 55729564) has the molecular formula C23H19FN4O5 and a molecular weight of 450.43 g/mol. Its IUPAC name is 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide.

Molecular Properties

Compound Name5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide
PubChem CID55729564
Molecular FormulaC23H19FN4O5
Molecular Weight450.43 g/mol
Exact Mass450.13
IUPAC Name5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide
SMILESCCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C23H19FN4O5/c1-3-33-21-11-16(19(28(30)31)12-20(21)32-2)23(29)25-15-8-9-17-18(10-15)27-22(26-17)13-4-6-14(24)7-5-13/h4-12H,3H2,1-2H3,(H,25,29)(H,26,27)
InChIKeyXMSFZPALWJWTCI-UHFFFAOYSA-N
XLogP4.94
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
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'}

Analyze 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dichlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 26719659
4-ethoxy-5-methoxy-2-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9255470
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3,4,5-trimethoxy-2-nitrobenzamide
CID 55901767
N-[6-(dimethylamino)-3-pyridinyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 30295546
5-ethoxy-4-methoxy-N-[4-(2-methylpropanoylamino)phenyl]-2-nitrobenzamide
CID 42122425
N-(3-acetamido-4-methylphenyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55746807
N-(4-acetamido-3-chlorophenyl)-4-ethoxy-5-methoxy-2-nitrobenzamide
CID 41305442
4-ethoxy-5-methoxy-2-nitro-N-(4-pyrazol-1-ylphenyl)benzamide
CID 31907819
N-[4-(2-amino-2-oxoethoxy)phenyl]-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 55566481
5-ethoxy-4-methoxy-N-(3-methylsulfonylphenyl)-2-nitrobenzamide
CID 26975903
methyl N-[4-[[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]carbamoyl]phenyl]carbamate
CID 155944894
4-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5-methoxy-2-nitrobenzamide
CID 8928038

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide?
The IUPAC name of 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide (CID 55729564) is 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide.
What is the SMILES notation for 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide?
The canonical SMILES for 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide is CCOc1cc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide?
The InChIKey is XMSFZPALWJWTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O5/c1-3-33-21-11-16(19(28(30)31)12-20(21)32-2)23(29)25-15-8-9-17-18(10-15)27-22(26-17)13-4-6-14(24)7-5-13/h4-12H,3H2,1-2H3,(H,25,29)(H,26,27).
What are the key properties of 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide?
5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide has a molecular weight of 450.43 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-4-methoxy-2-nitrobenzamide is sourced from PubChem (CID 55729564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).