(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one

C27H27N3O — CID 134955085

IUPAC(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one
SMILESCC(C)N(C[C@@H](C(=O)c1nccn1-c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N3O/c1-21(2)30(24-16-10-5-11-17-24)20-25(22-12-6-3-7-13-22)26(31)27-28-18-19-29(27)23-14-8-4-9-15-23/h3-19,21,25H,20H2,1-2H3/t25-/m1/s1
InChIKeyRZWKWYNBMDCVOS-RUZDIDTESA-N
MW409.53 g/mol
LogP5.75
Rot. Bonds8

About (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one

(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one (PubChem CID 134955085) has the molecular formula C27H27N3O and a molecular weight of 409.53 g/mol. Its IUPAC name is (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one.

Molecular Properties

Compound Name(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one
PubChem CID134955085
Molecular FormulaC27H27N3O
Molecular Weight409.53 g/mol
Exact Mass409.22
IUPAC Name(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one
SMILESCC(C)N(C[C@@H](C(=O)c1nccn1-c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H27N3O/c1-21(2)30(24-16-10-5-11-17-24)20-25(22-12-6-3-7-13-22)26(31)27-28-18-19-29(27)23-14-8-4-9-15-23/h3-19,21,25H,20H2,1-2H3/t25-/m1/s1
InChIKeyRZWKWYNBMDCVOS-RUZDIDTESA-N
XLogP5.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3,3,3-trichloro-2-(4-methoxyphenyl)-1-(1-phenylimidazol-2-yl)propan-1-one
CID 122233658
tert-butyl N-[3-oxo-1-phenyl-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
CID 138973770
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one
CID 162408817
(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one
CID 132991303
(2S)-2-[N-(3-methoxypropyl)anilino]-1-(1-thiophen-2-ylimidazol-2-yl)propan-1-one
CID 169324664
methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
CID 138973768
(2S)-2-(N-ethylanilino)-1-(1-thiophen-2-ylimidazol-2-yl)octan-1-one
CID 169324638
(2S,3S)-3-(4-methylphenyl)-4-nitro-1-(1-phenylimidazol-2-yl)-2-phenylsulfanylbutan-1-one
CID 122392492
(2S,3R)-2-ethyl-3-naphthalen-2-yl-4-nitro-1-(1-phenylimidazol-2-yl)pent-4-en-1-one
CID 134962899
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
CID 113218827
3,3,3-trifluoro-1-[1-(2-methylphenyl)imidazol-2-yl]-2-phenylpropan-1-one
CID 177392842

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one?
The IUPAC name of (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one (CID 134955085) is (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one.
What is the SMILES notation for (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one?
The canonical SMILES for (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one is CC(C)N(C[C@@H](C(=O)c1nccn1-c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one?
The InChIKey is RZWKWYNBMDCVOS-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27N3O/c1-21(2)30(24-16-10-5-11-17-24)20-25(22-12-6-3-7-13-22)26(31)27-28-18-19-29(27)23-14-8-4-9-15-23/h3-19,21,25H,20H2,1-2H3/t25-/m1/s1.
What are the key properties of (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one?
(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one has a molecular weight of 409.53 g/mol, XLogP of 5.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one is sourced from PubChem (CID 134955085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).