3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one

C25H23N3O — CID 70890206

IUPAC3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one
SMILESNC(Cc1cnc[nH]1)C(=O)Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23N3O/c26-24(15-23-16-27-17-28-23)25(29)14-18-6-8-20(9-7-18)22-12-10-21(11-13-22)19-4-2-1-3-5-19/h1-13,16-17,24H,14-15,26H2,(H,27,28)
InChIKeyBKQCPTUAERSZAI-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.43
Rot. Bonds7

About 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one

3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one (PubChem CID 70890206) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one.

Molecular Properties

Compound Name3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one
PubChem CID70890206
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one
SMILESNC(Cc1cnc[nH]1)C(=O)Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H23N3O/c26-24(15-23-16-27-17-28-23)25(29)14-18-6-8-20(9-7-18)22-12-10-21(11-13-22)19-4-2-1-3-5-19/h1-13,16-17,24H,14-15,26H2,(H,27,28)
InChIKeyBKQCPTUAERSZAI-UHFFFAOYSA-N
XLogP4.43
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one
CID 22803161
3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-methylphenyl)phenyl]butan-2-one
CID 70890355
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-[4-[(E)-2-phenylethenyl]phenyl]butan-2-one
CID 46207139
(3S)-3-amino-1-[4-[4-(4-butylphenyl)phenyl]phenyl]-4-(1H-imidazol-5-yl)butan-2-one
CID 46207111
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-phenylacetic acid
CID 174909825
(3S)-3-amino-1-(3,4-dichlorophenyl)-4-(1H-imidazol-5-yl)butan-2-one;tetrahydrochloride
CID 90664294
(3S)-4-(1H-imidazol-5-yl)-3-methyl-1-[4-(4-methylphenyl)phenyl]butan-2-one
CID 129208407
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-naphthalen-1-ylbutan-2-one;dihydrochloride
CID 44582648
(3S)-3-(chloroamino)-4-(1H-imidazol-5-yl)-1-[4-(4-methylphenyl)phenyl]butan-2-one
CID 89070857
(3S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 44582650
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(3S)-3-amino-1-(2-hydroxynaphthalen-1-yl)-4-(1H-imidazol-5-yl)butan-2-one
CID 122459100

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one?
The IUPAC name of 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one (CID 70890206) is 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one.
What is the SMILES notation for 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one?
The canonical SMILES for 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one is NC(Cc1cnc[nH]1)C(=O)Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one?
The InChIKey is BKQCPTUAERSZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O/c26-24(15-23-16-27-17-28-23)25(29)14-18-6-8-20(9-7-18)22-12-10-21(11-13-22)19-4-2-1-3-5-19/h1-13,16-17,24H,14-15,26H2,(H,27,28).
What are the key properties of 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one?
3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one has a molecular weight of 381.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1H-imidazol-5-yl)-1-[4-(4-phenylphenyl)phenyl]butan-2-one is sourced from PubChem (CID 70890206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).