(3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one

C22H21N3O — CID 132991302

IUPAC(3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one
SMILESCc1c([C@@H](CC(=O)c2nccn2C)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H21N3O/c1-15-17-10-6-7-11-19(17)24-21(15)18(16-8-4-3-5-9-16)14-20(26)22-23-12-13-25(22)2/h3-13,18,24H,14H2,1-2H3/t18-/m0/s1
InChIKeyNMDATKDGKRDYHO-SFHVURJKSA-N
MW343.43 g/mol
LogP4.61
Rot. Bonds5

About (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one

(3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one (PubChem CID 132991302) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one
PubChem CID132991302
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one
SMILESCc1c([C@@H](CC(=O)c2nccn2C)c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C22H21N3O/c1-15-17-10-6-7-11-19(17)24-21(15)18(16-8-4-3-5-9-16)14-20(26)22-23-12-13-25(22)2/h3-13,18,24H,14H2,1-2H3/t18-/m0/s1
InChIKeyNMDATKDGKRDYHO-SFHVURJKSA-N
XLogP4.61
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-(3-methyl-1H-indol-2-yl)-3-phenyl-1-(1-phenylimidazol-2-yl)propan-1-one
CID 132991303
(3S)-3-(4-fluorophenyl)-3-(3-methyl-1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 132991310
N-methyl-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-amine
CID 58088428
1-(1-methylimidazol-2-yl)-3-(4-methylphenyl)pentane-1,4-dione
CID 86081819
3-methyl-1-(1-methylimidazol-2-yl)-2-phenylpentan-1-one
CID 113218827
2-(2-bromophenyl)-1-(1-methylimidazol-2-yl)ethanone
CID 63977072
(3R)-3-(2-methyl-1H-indol-3-yl)-1,3-diphenylpropan-1-one
CID 101252964
N-[(1-methylimidazol-2-yl)methyl]-3,3-diphenylpropanamide
CID 110444641
(3S)-3-(4-methoxyphenyl)-1-(1-methylimidazol-2-yl)butan-1-one
CID 122382823
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766
(3S)-3-(4-chlorophenyl)-3-(1H-indol-2-yl)-1-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 102573995
(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one
CID 122382821

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one?
The IUPAC name of (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one (CID 132991302) is (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one?
The canonical SMILES for (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one is Cc1c([C@@H](CC(=O)c2nccn2C)c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one?
The InChIKey is NMDATKDGKRDYHO-SFHVURJKSA-N. The full InChI is InChI=1S/C22H21N3O/c1-15-17-10-6-7-11-19(17)24-21(15)18(16-8-4-3-5-9-16)14-20(26)22-23-12-13-25(22)2/h3-13,18,24H,14H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one?
(3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one has a molecular weight of 343.43 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylimidazol-2-yl)-3-(3-methyl-1H-indol-2-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 132991302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).