N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide

C25H25N5O — CID 5230333

IUPACN-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
SMILESCCCCOc1ccc(C=NN/C(=N\c2ccccc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H25N5O/c1-2-3-17-31-21-15-13-19(14-16-21)18-26-30-25(27-20-9-5-4-6-10-20)24-28-22-11-7-8-12-23(22)29-24/h4-16,18H,2-3,17H2,1H3,(H,27,30)(H,28,29)
InChIKeyMTGVGQBXSJQNBU-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.44
Rot. Bonds8

About N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide

N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide (PubChem CID 5230333) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide.

Molecular Properties

Compound NameN-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
PubChem CID5230333
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC NameN-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
SMILESCCCCOc1ccc(C=NN/C(=N\c2ccccc2)c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H25N5O/c1-2-3-17-31-21-15-13-19(14-16-21)18-26-30-25(27-20-9-5-4-6-10-20)24-28-22-11-7-8-12-23(22)29-24/h4-16,18H,2-3,17H2,1H3,(H,27,30)(H,28,29)
InChIKeyMTGVGQBXSJQNBU-UHFFFAOYSA-N
XLogP5.44
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 135659530
N-[(4-hydroxyphenyl)methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230869
N-[(E)-(3-hydroxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 135602538
N'-(4-methylphenyl)-N-(octylideneamino)-1H-benzimidazole-2-carboximidamide
CID 5231004
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-N'-(4-methylphenyl)-1H-benzimidazole-2-carboximidamide
CID 5230861
N-[(E)-1,3-benzothiazol-2-ylmethylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 135602566
N-[(E)-(4-butoxyphenyl)methylideneamino]-N'-(2-methoxyphenyl)quinoline-2-carboximidamide
CID 19260403
N-[[4-(3-methylbutoxy)phenyl]methylideneamino]-1H-benzimidazol-2-amine
CID 4166648
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide
CID 5230324
3-(3-oxo-4H-quinoxalin-2-yl)-N-[(E)-[4-(2-phenylethoxy)phenyl]methylideneamino]propanamide
CID 110338874
N-[(4-butoxy-3-methoxyphenyl)methylideneamino]-N'-phenylquinoline-2-carboximidamide
CID 5120507
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-butoxyphenyl)-3-hydroxyprop-2-enenitrile
CID 135498814

Frequently Asked Questions

What is the IUPAC name of N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide?
The IUPAC name of N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide (CID 5230333) is N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide.
What is the SMILES notation for N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide?
The canonical SMILES for N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide is CCCCOc1ccc(C=NN/C(=N\c2ccccc2)c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide?
The InChIKey is MTGVGQBXSJQNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-2-3-17-31-21-15-13-19(14-16-21)18-26-30-25(27-20-9-5-4-6-10-20)24-28-22-11-7-8-12-23(22)29-24/h4-16,18H,2-3,17H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide?
N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide has a molecular weight of 411.51 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butoxyphenyl)methylideneamino]-N'-phenyl-1H-benzimidazole-2-carboximidamide is sourced from PubChem (CID 5230333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).