[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone

C19H18N4O — CID 26910878

IUPAC[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C19H18N4O/c1-13-12-15-8-6-7-11-17(15)22(13)19(24)18-14(2)20-23(21-18)16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyJTXLUWWJDPQIGX-CYBMUJFWSA-N
MW318.38 g/mol
LogP3.17
Rot. Bonds2

About [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone (PubChem CID 26910878) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
PubChem CID26910878
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
SMILESCc1nn(-c2ccccc2)nc1C(=O)N1c2ccccc2C[C@H]1C
InChIInChI=1S/C19H18N4O/c1-13-12-15-8-6-7-11-17(15)22(13)19(24)18-14(2)20-23(21-18)16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeyJTXLUWWJDPQIGX-CYBMUJFWSA-N
XLogP3.17
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 7742106
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
1-methyl-3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]pyrazole-4-carboxylic acid
CID 42552584
(2-methyl-2,3-dihydroindol-1-yl)-[1-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)pyrazol-4-yl]methanone
CID 44824100
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42905966
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
(2-methyl-2,3-dihydroindol-1-yl)-(6-methylpyrimidin-4-yl)methanone
CID 110863859
(1,3-diphenylpyrazol-4-yl)-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 2310421
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 93240954
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
(2-methyl-2,3-dihydroindol-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 110863850
(2-methyl-2,3-dihydroindol-1-yl)-(2-methylimidazo[1,2-a]pyridin-3-yl)methanone
CID 3186577

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The IUPAC name of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone (CID 26910878) is [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone is Cc1nn(-c2ccccc2)nc1C(=O)N1c2ccccc2C[C@H]1C.
What is the InChIKey of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
The InChIKey is JTXLUWWJDPQIGX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N4O/c1-13-12-15-8-6-7-11-17(15)22(13)19(24)18-14(2)20-23(21-18)16-9-4-3-5-10-16/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone?
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone has a molecular weight of 318.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 26910878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).