N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine

C24H19FN6O — CID 6155597

IUPACN-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\Nc1nc2ccccc2[nH]1
InChIInChI=1S/C24H19FN6O/c1-16-20(15-26-29-24-27-21-9-5-6-10-22(21)28-24)23(32-19-13-11-17(25)12-14-19)31(30-16)18-7-3-2-4-8-18/h2-15H,1H3,(H2,27,28,29)/b26-15-
InChIKeyRZGOUQKUKHSENN-YSMPRRRNSA-N
MW426.46 g/mol
LogP5.43
Rot. Bonds6

About N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine

N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 6155597) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
PubChem CID6155597
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC NameN-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
SMILESCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\Nc1nc2ccccc2[nH]1
InChIInChI=1S/C24H19FN6O/c1-16-20(15-26-29-24-27-21-9-5-6-10-22(21)28-24)23(32-19-13-11-17(25)12-14-19)31(30-16)18-7-3-2-4-8-18/h2-15H,1H3,(H2,27,28,29)/b26-15-
InChIKeyRZGOUQKUKHSENN-YSMPRRRNSA-N
XLogP5.43
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine (CID 6155597) is N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine is Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is RZGOUQKUKHSENN-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-16-20(15-26-29-24-27-21-9-5-6-10-22(21)28-24)23(32-19-13-11-17(25)12-14-19)31(30-16)18-7-3-2-4-8-18/h2-15H,1H3,(H2,27,28,29)/b26-15-.
What are the key properties of N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine?
N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 426.46 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-fluorophenoxy)-3-methyl-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 6155597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).