N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride

C25H24ClN3O — CID 139903213

IUPACN-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C=CC2=NCCN2)cc1
InChIInChI=1S/C25H23N3O.ClH/c29-25(18-20-6-11-22(12-7-20)21-4-2-1-3-5-21)28-23-13-8-19(9-14-23)10-15-24-26-16-17-27-24;/h1-15H,16-18H2,(H,26,27)(H,28,29);1H
InChIKeyAMTLZAYITQKWGQ-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.97
Rot. Bonds6

About N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride

N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride (PubChem CID 139903213) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride
PubChem CID139903213
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C=CC2=NCCN2)cc1
InChIInChI=1S/C25H23N3O.ClH/c29-25(18-20-6-11-22(12-7-20)21-4-2-1-3-5-21)28-23-13-8-19(9-14-23)10-15-24-26-16-17-27-24;/h1-15H,16-18H2,(H,26,27)(H,28,29);1H
InChIKeyAMTLZAYITQKWGQ-UHFFFAOYSA-N
XLogP4.97
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(E)-2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-4-phenylbenzamide
CID 21063030
N-(4-hydroxyphenyl)-2-(4-phenylphenyl)acetamide
CID 71422853
ethane;2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
CID 145111206
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-phenylphenyl)acetamide
CID 832236
[4-[[2-(4-phenylphenyl)acetyl]amino]phenyl]boronic acid
CID 127028475
N-[4-(diethylaminomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 100516184
N-[4-(cyanomethyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 26374350
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
(E)-3-phenyl-N-[4-[(2-phenylacetyl)amino]phenyl]prop-2-enamide
CID 17102397
2-[4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-phenylphenyl)acetamide
CID 9206369
2-[4-[(E)-3-hydroxy-3-(1H-imidazol-2-yl)prop-1-enyl]phenyl]-N-phenylacetamide
CID 155381875
2-fluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 168830160

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride (CID 139903213) is N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride is Cl.O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C=CC2=NCCN2)cc1.
What is the InChIKey of N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride?
The InChIKey is AMTLZAYITQKWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O.ClH/c29-25(18-20-6-11-22(12-7-20)21-4-2-1-3-5-21)28-23-13-8-19(9-14-23)10-15-24-26-16-17-27-24;/h1-15H,16-18H2,(H,26,27)(H,28,29);1H.
What are the key properties of N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride?
N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride has a molecular weight of 417.94 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethenyl]phenyl]-2-(4-phenylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 139903213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).