4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide

C26H28N4 — CID 166781489

IUPAC4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCc2cccc(CCc3ccc(C4=NCCN4)cc3)c2)cc1
InChIInChI=1S/C26H28N4/c27-25(28)23-12-8-19(9-13-23)4-6-21-2-1-3-22(18-21)7-5-20-10-14-24(15-11-20)26-29-16-17-30-26/h1-3,8-15,18H,4-7,16-17H2,(H3,27,28)(H,29,30)
InChIKeyOSTZTYQPNQJDKG-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.89
Rot. Bonds8

About 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide

4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide (PubChem CID 166781489) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide
PubChem CID166781489
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CCc2cccc(CCc3ccc(C4=NCCN4)cc3)c2)cc1
InChIInChI=1S/C26H28N4/c27-25(28)23-12-8-19(9-13-23)4-6-21-2-1-3-22(18-21)7-5-20-10-14-24(15-11-20)26-29-16-17-30-26/h1-3,8-15,18H,4-7,16-17H2,(H3,27,28)(H,29,30)
InChIKeyOSTZTYQPNQJDKG-UHFFFAOYSA-N
XLogP3.89
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]-2-fluorophenyl]methoxy]benzenecarboximidamide
CID 161251312
4-[2-(3-phenylphenyl)ethyl]benzenecarboximidamide
CID 142648170
2-[4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-5-methylphenyl]ethyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162469328
2-[6-carbamimidoyl-2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1H-indol-3-yl]acetic acid;dihydrochloride
CID 10388187
4-[[3-[[4-(4,5-dihydro-1H-imidazol-2-yl)-2-fluorophenoxy]methyl]-2-fluorophenyl]methoxy]-3-fluorobenzenecarboximidamide
CID 166781354
3-[2-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)ethyl]benzenecarboximidamide
CID 174302880
2-[[4-[2-(3-carbamimidoylphenyl)ethyl]phenyl]methylsulfanyl]-3H-benzimidazole-5-carboximidamide
CID 139854690
4-(2-aminoethyl)benzenecarboximidamide;dihydrochloride
CID 70294234
4-(3-methylbutyl)benzenecarboximidamide
CID 137472926
2-[(E)-2-[5-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-2-yl]ethenyl]-1-benzofuran-5-carboximidamide
CID 67581674
2-[4-[2-[[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethoxymethyl]phenyl]methoxy]ethoxy]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 162335122
benzenecarboximidamide;(4-phenylphenyl)methanamine
CID 145327292

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide?
The IUPAC name of 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide (CID 166781489) is 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide.
What is the SMILES notation for 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide?
The canonical SMILES for 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CCc2cccc(CCc3ccc(C4=NCCN4)cc3)c2)cc1.
What is the InChIKey of 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide?
The InChIKey is OSTZTYQPNQJDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c27-25(28)23-12-8-19(9-13-23)4-6-21-2-1-3-22(18-21)7-5-20-10-14-24(15-11-20)26-29-16-17-30-26/h1-3,8-15,18H,4-7,16-17H2,(H3,27,28)(H,29,30).
What are the key properties of 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide?
4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide has a molecular weight of 396.54 g/mol, XLogP of 3.89, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]phenyl]ethyl]benzenecarboximidamide is sourced from PubChem (CID 166781489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).