7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide

C24H20ClFN4O3 — CID 58763009

IUPAC7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide
SMILESCOc1c(C(=O)NNC(=O)Cc2ccccc2)cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c12
InChIInChI=1S/C24H20ClFN4O3/c1-33-23-17(24(32)30-29-20(31)12-14-5-3-2-4-6-14)13-18(25)21-22(23)28-19(27-21)11-15-7-9-16(26)10-8-15/h2-10,13H,11-12H2,1H3,(H,27,28)(H,29,31)(H,30,32)
InChIKeyOZJCECGBIVJKJL-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.96
Rot. Bonds6

About 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide

7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide (PubChem CID 58763009) has the molecular formula C24H20ClFN4O3 and a molecular weight of 466.90 g/mol. Its IUPAC name is 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide
PubChem CID58763009
Molecular FormulaC24H20ClFN4O3
Molecular Weight466.90 g/mol
Exact Mass466.12
IUPAC Name7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide
SMILESCOc1c(C(=O)NNC(=O)Cc2ccccc2)cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c12
InChIInChI=1S/C24H20ClFN4O3/c1-33-23-17(24(32)30-29-20(31)12-14-5-3-2-4-6-14)13-18(25)21-22(23)28-19(27-21)11-15-7-9-16(26)10-8-15/h2-10,13H,11-12H2,1H3,(H,27,28)(H,29,31)(H,30,32)
InChIKeyOZJCECGBIVJKJL-UHFFFAOYSA-N
XLogP3.96
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide (CID 58763009) is 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide is COc1c(C(=O)NNC(=O)Cc2ccccc2)cc(Cl)c2nc(Cc3ccc(F)cc3)[nH]c12.
What is the InChIKey of 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide?
The InChIKey is OZJCECGBIVJKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O3/c1-33-23-17(24(32)30-29-20(31)12-14-5-3-2-4-6-14)13-18(25)21-22(23)28-19(27-21)11-15-7-9-16(26)10-8-15/h2-10,13H,11-12H2,1H3,(H,27,28)(H,29,31)(H,30,32).
What are the key properties of 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide?
7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide has a molecular weight of 466.90 g/mol, XLogP of 3.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-fluorophenyl)methyl]-4-methoxy-N'-(2-phenylacetyl)-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 58763009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).