N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine

C24H20N6O — CID 4221591

IUPACN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H20N6O/c1-31-20-13-11-17(12-14-20)23-18(16-30(29-23)19-7-3-2-4-8-19)15-25-28-24-26-21-9-5-6-10-22(21)27-24/h2-16H,1H3,(H2,26,27,28)
InChIKeyJLYQMUORUPYYKN-UHFFFAOYSA-N
MW408.47 g/mol
LogP4.87
Rot. Bonds6

About N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine

N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine (PubChem CID 4221591) has the molecular formula C24H20N6O and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
PubChem CID4221591
Molecular FormulaC24H20N6O
Molecular Weight408.47 g/mol
Exact Mass408.17
IUPAC NameN-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C24H20N6O/c1-31-20-13-11-17(12-14-20)23-18(16-30(29-23)19-7-3-2-4-8-19)15-25-28-24-26-21-9-5-6-10-22(21)27-24/h2-16H,1H3,(H2,26,27,28)
InChIKeyJLYQMUORUPYYKN-UHFFFAOYSA-N
XLogP4.87
TPSA80.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 54.87
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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Related Compounds

N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]hexadecanamide
CID 51061304
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]pyridine-2-carboxamide
CID 7976863
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1,1-diphenylmethanimine
CID 2488828
4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 1363818
2-fluoro-N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 9236351
(E)-N-(4,6-dimethylpyrimidin-2-yl)-1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanimine
CID 21236377
1-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea
CID 6882821
N-[(Z)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-nitrobenzamide
CID 34306104
1-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-N-(4-piperidin-1-ylphenyl)methanimine
CID 23966319
N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-4-methylthiadiazole-5-carboxamide
CID 6075112
N-(3-methoxyphenyl)-N'-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]oxamide
CID 51061241
N-[(1,3-diphenylpyrazol-4-yl)methylideneamino]quinolin-2-amine
CID 5213107

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine (CID 4221591) is N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine is COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine?
The InChIKey is JLYQMUORUPYYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O/c1-31-20-13-11-17(12-14-20)23-18(16-30(29-23)19-7-3-2-4-8-19)15-25-28-24-26-21-9-5-6-10-22(21)27-24/h2-16H,1H3,(H2,26,27,28).
What are the key properties of N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine?
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine has a molecular weight of 408.47 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]-1H-benzimidazol-2-amine is sourced from PubChem (CID 4221591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).