N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide

C23H21N5O — CID 135659542

IUPACN-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
SMILESCOc1ccccc1/C=N\N/C(=N\c1ccc(C)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N5O/c1-16-11-13-18(14-12-16)25-23(22-26-19-8-4-5-9-20(19)27-22)28-24-15-17-7-3-6-10-21(17)29-2/h3-15H,1-2H3,(H,25,28)(H,26,27)/b24-15-
InChIKeyULOJPLJJFXUQDO-IWIPYMOSSA-N
MW383.46 g/mol
LogP4.58
Rot. Bonds5

About N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide

N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide (PubChem CID 135659542) has the molecular formula C23H21N5O and a molecular weight of 383.46 g/mol. Its IUPAC name is N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide.

Molecular Properties

Compound NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
PubChem CID135659542
Molecular FormulaC23H21N5O
Molecular Weight383.46 g/mol
Exact Mass383.17
IUPAC NameN-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
SMILESCOc1ccccc1/C=N\N/C(=N\c1ccc(C)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H21N5O/c1-16-11-13-18(14-12-16)25-23(22-26-19-8-4-5-9-20(19)27-22)28-24-15-17-7-3-6-10-21(17)29-2/h3-15H,1-2H3,(H,25,28)(H,26,27)/b24-15-
InChIKeyULOJPLJJFXUQDO-IWIPYMOSSA-N
XLogP4.58
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-hydroxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230869
N-[(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)quinoline-2-carboximidamide
CID 4711094
N-(1,3-benzothiazol-2-ylmethylideneamino)-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230876
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230861
N'-(4-methylphenyl)-N-(octylideneamino)-1H-benzimidazole-2-carboximidamide
CID 5231004
N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 135659530
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 5230324
N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 135602566
N-[(E)-(3-hydroxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 135602538
N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 5230333
N'-(4-ethoxyphenyl)-N-[(2-methoxyphenyl)methylideneamino]-1,3-benzothiazole-2-carboximidamide
CID 3902926
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 1365966

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide?
The IUPAC name of N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide (CID 135659542) is N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide.
What is the SMILES notation for N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide?
The canonical SMILES for N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide is COc1ccccc1/C=N\N/C(=N\c1ccc(C)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide?
The InChIKey is ULOJPLJJFXUQDO-IWIPYMOSSA-N. The full InChI is InChI=1S/C23H21N5O/c1-16-11-13-18(14-12-16)25-23(22-26-19-8-4-5-9-20(19)27-22)28-24-15-17-7-3-6-10-21(17)29-2/h3-15H,1-2H3,(H,25,28)(H,26,27)/b24-15-.
What are the key properties of N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide?
N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide has a molecular weight of 383.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-methoxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide is sourced from PubChem (CID 135659542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).