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

C18H16ClFN4O3 — CID 58763215

IUPAC7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide
SMILESCOc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cc(Cl)c2nc(C)[nH]c12
InChIInChI=1S/C18H16ClFN4O3/c1-9-21-15-13(19)8-12(17(27-2)16(15)22-9)18(26)24-23-14(25)7-10-3-5-11(20)6-4-10/h3-6,8H,7H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyGVWJFKQFSRTNIC-UHFFFAOYSA-N
MW390.80 g/mol
LogP2.68
Rot. Bonds4

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

7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide (PubChem CID 58763215) has the molecular formula C18H16ClFN4O3 and a molecular weight of 390.80 g/mol. Its IUPAC name is 7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide.

Molecular Properties

Compound Name7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide
PubChem CID58763215
Molecular FormulaC18H16ClFN4O3
Molecular Weight390.80 g/mol
Exact Mass390.09
IUPAC Name7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide
SMILESCOc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cc(Cl)c2nc(C)[nH]c12
InChIInChI=1S/C18H16ClFN4O3/c1-9-21-15-13(19)8-12(17(27-2)16(15)22-9)18(26)24-23-14(25)7-10-3-5-11(20)6-4-10/h3-6,8H,7H2,1-2H3,(H,21,22)(H,23,25)(H,24,26)
InChIKeyGVWJFKQFSRTNIC-UHFFFAOYSA-N
XLogP2.68
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 52.68
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-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide?
The IUPAC name of 7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide (CID 58763215) is 7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide.
What is the SMILES notation for 7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide?
The canonical SMILES for 7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide is COc1c(C(=O)NNC(=O)Cc2ccc(F)cc2)cc(Cl)c2nc(C)[nH]c12.
What is the InChIKey of 7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide?
The InChIKey is GVWJFKQFSRTNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O3/c1-9-21-15-13(19)8-12(17(27-2)16(15)22-9)18(26)24-23-14(25)7-10-3-5-11(20)6-4-10/h3-6,8H,7H2,1-2H3,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of 7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide?
7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide has a molecular weight of 390.80 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N'-[2-(4-fluorophenyl)acetyl]-4-methoxy-2-methyl-3H-benzimidazole-5-carbohydrazide is sourced from PubChem (CID 58763215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).