[4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

C19H17N3O — CID 110690277

IUPAC[4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C19H17N3O/c1-13-12-16-4-2-3-5-17(16)22(13)19(23)15-8-6-14(7-9-15)18-20-10-11-21-18/h2-11,13H,12H2,1H3,(H,20,21)
InChIKeyMSBGLIKMGWOEMU-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.67
Rot. Bonds2

About [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone

[4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110690277) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID110690277
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name[4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(-c2ncc[nH]2)cc1
InChIInChI=1S/C19H17N3O/c1-13-12-16-4-2-3-5-17(16)22(13)19(23)15-8-6-14(7-9-15)18-20-10-11-21-18/h2-11,13H,12H2,1H3,(H,20,21)
InChIKeyMSBGLIKMGWOEMU-UHFFFAOYSA-N
XLogP3.67
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
5-(2-methyl-2,3-dihydroindole-1-carbonyl)-1H-pyridin-2-one
CID 43083133
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
[4-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]phenyl] acetate
CID 7336980
N-tert-butyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)benzamide
CID 48845425
(2-methyl-2,3-dihydroindol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 3449994
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 737594
6-(2-methyl-2,3-dihydroindole-1-carbonyl)pyridine-3-carboxylic acid
CID 43427178
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-[4-(methylsulfonylmethyl)phenyl]methanone
CID 26910884
1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 60719171

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 110690277) is [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc(-c2ncc[nH]2)cc1.
What is the InChIKey of [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is MSBGLIKMGWOEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-13-12-16-4-2-3-5-17(16)22(13)19(23)15-8-6-14(7-9-15)18-20-10-11-21-18/h2-11,13H,12H2,1H3,(H,20,21).
What are the key properties of [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazol-2-yl)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110690277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).