2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide

C24H22ClN5O — CID 155526440

IUPAC2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN5O/c25-18-8-6-16(7-9-18)15-31-22-12-19(10-11-20(22)24(26)27)28-14-23-29-13-21(30-23)17-4-2-1-3-5-17/h1-13,28H,14-15H2,(H3,26,27)(H,29,30)
InChIKeyWEZOBFYTYOBXPI-UHFFFAOYSA-N
MW431.93 g/mol
LogP5.21
Rot. Bonds8

About 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide

2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide (PubChem CID 155526440) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
PubChem CID155526440
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCc1ccc(Cl)cc1
InChIInChI=1S/C24H22ClN5O/c25-18-8-6-16(7-9-18)15-31-22-12-19(10-11-20(22)24(26)27)28-14-23-29-13-21(30-23)17-4-2-1-3-5-17/h1-13,28H,14-15H2,(H3,26,27)(H,29,30)
InChIKeyWEZOBFYTYOBXPI-UHFFFAOYSA-N
XLogP5.21
TPSA99.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.93
LogP ≤ 55.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide
CID 155547612
2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]acetamide
CID 155520178
2-[2-carbamimidoyl-5-[(5-phenyl-1H-imidazol-2-yl)methylamino]phenoxy]-N-methylacetamide
CID 155532278
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
4-chloro-2-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 113277412
4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81052445
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
4-chloro-2-[(3-chloro-4-pyridinyl)methoxy]benzenecarboximidamide
CID 114323640
2-chloro-4-[[2-[(4-chlorophenyl)methoxy]phenyl]methylamino]benzoic acid
CID 17058983
4-chloro-2-[(2,6-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323553
4-chloro-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 63092175

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide (CID 155526440) is 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide?
The InChIKey is WEZOBFYTYOBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c25-18-8-6-16(7-9-18)15-31-22-12-19(10-11-20(22)24(26)27)28-14-23-29-13-21(30-23)17-4-2-1-3-5-17/h1-13,28H,14-15H2,(H3,26,27)(H,29,30).
What are the key properties of 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide?
2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide has a molecular weight of 431.93 g/mol, XLogP of 5.21, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide is sourced from PubChem (CID 155526440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).