(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one

C27H23N3O — CID 132991303

IUPAC(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one
SMILESCc1c([C@@H](CC(=O)c2nccn2-c2ccccc2)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C27H23N3O/c1-19-22-14-8-9-15-24(22)29-26(19)23(20-10-4-2-5-11-20)18-25(31)27-28-16-17-30(27)21-12-6-3-7-13-21/h2-17,23,29H,18H2,1H3/t23-/m0/s1
InChIKeyDNUWRCHKPFVJPR-QHCPKHFHSA-N
MW405.50 g/mol
LogP6.07
Rot. Bonds6

About (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one

(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one (PubChem CID 132991303) has the molecular formula C27H23N3O and a molecular weight of 405.50 g/mol. Its IUPAC name is (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one
PubChem CID132991303
Molecular FormulaC27H23N3O
Molecular Weight405.50 g/mol
Exact Mass405.18
IUPAC Name(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one
SMILESCc1c([C@@H](CC(=O)c2nccn2-c2ccccc2)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C27H23N3O/c1-19-22-14-8-9-15-24(22)29-26(19)23(20-10-4-2-5-11-20)18-25(31)27-28-16-17-30(27)21-12-6-3-7-13-21/h2-17,23,29H,18H2,1H3/t23-/m0/s1
InChIKeyDNUWRCHKPFVJPR-QHCPKHFHSA-N
XLogP6.07
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one
CID 132991302
(3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 132991310
(3R)-3-methyl-4-phenyl-1-(1-phenylimidazol-2-yl)butan-1-one
CID 162408817
tert-butyl N-[3-oxo-1-phenyl-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
CID 138973770
N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine
CID 58088428
ethyl (2R,3S)-3-methyl-4-oxo-2-[2-oxo-2-(1-phenylimidazol-2-yl)ethyl]-3-phenylbutanoate
CID 132530308
(2S)-2-phenyl-1-(1-phenylimidazol-2-yl)-3-(N-propan-2-ylanilino)propan-1-one
CID 134955085
(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 101252964
methyl N-[1-(4-methoxyphenyl)-3-oxo-3-(1-phenylimidazol-2-yl)propyl]-N-phenylcarbamate
CID 138973768
(3S)-3-(4-chlorophenyl)-3-(1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 102573995
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
2-amino-1-(3-methyl-1H-indol-2-yl)ethanol
CID 112708805

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one?
The IUPAC name of (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one (CID 132991303) is (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one.
What is the SMILES notation for (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one?
The canonical SMILES for (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one is Cc1c([C@@H](CC(=O)c2nccn2-c2ccccc2)c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one?
The InChIKey is DNUWRCHKPFVJPR-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H23N3O/c1-19-22-14-8-9-15-24(22)29-26(19)23(20-10-4-2-5-11-20)18-25(31)27-28-16-17-30(27)21-12-6-3-7-13-21/h2-17,23,29H,18H2,1H3/t23-/m0/s1.
What are the key properties of (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one?
(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one has a molecular weight of 405.50 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 132991303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).