4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide

C24H23N5O — CID 155547612

IUPAC4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCc1ccccc1
InChIInChI=1S/C24H23N5O/c25-24(26)20-12-11-19(13-22(20)30-16-17-7-3-1-4-8-17)27-15-23-28-14-21(29-23)18-9-5-2-6-10-18/h1-14,27H,15-16H2,(H3,25,26)(H,28,29)
InChIKeyVCVHKYALGNGEGS-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.55
Rot. Bonds8

About 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide

4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide (PubChem CID 155547612) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide
PubChem CID155547612
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCc1ccccc1
InChIInChI=1S/C24H23N5O/c25-24(26)20-12-11-19(13-22(20)30-16-17-7-3-1-4-8-17)27-15-23-28-14-21(29-23)18-9-5-2-6-10-18/h1-14,27H,15-16H2,(H3,25,26)(H,28,29)
InChIKeyVCVHKYALGNGEGS-UHFFFAOYSA-N
XLogP4.55
TPSA99.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.55
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

2-[(4-chlorophenyl)methoxy]-4-[(5-phenyl-1H-imidazol-2-yl)methylamino]benzenecarboximidamide
CID 155526440
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
3-phenylmethoxypyridazine-4-carboximidamide
CID 80514143
2-(pyridin-4-ylmethoxy)benzenecarboximidamide
CID 24702540
4-(2-ethyl-1H-imidazol-5-yl)benzenecarboximidamide
CID 67124587
4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
4-methoxy-2-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 81300051
N-(4-carbamimidoylphenyl)-4-phenyl-3-(5-phenyl-1H-imidazol-2-yl)butanamide
CID 66674454
N-methyl-1-(5-phenyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 72716194
2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
CID 11487705
1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
CID 75502062

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide?
The IUPAC name of 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide (CID 155547612) is 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide.
What is the SMILES notation for 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide?
The canonical SMILES for 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(NCc2ncc(-c3ccccc3)[nH]2)cc1OCc1ccccc1.
What is the InChIKey of 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide?
The InChIKey is VCVHKYALGNGEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c25-24(26)20-12-11-19(13-22(20)30-16-17-7-3-1-4-8-17)27-15-23-28-14-21(29-23)18-9-5-2-6-10-18/h1-14,27H,15-16H2,(H3,25,26)(H,28,29).
What are the key properties of 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide?
4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide has a molecular weight of 397.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1H-imidazol-2-yl)methylamino]-2-phenylmethoxybenzenecarboximidamide is sourced from PubChem (CID 155547612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).