[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

C19H17ClN4O — CID 99697362

IUPAC[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCc1nc(C(=O)N2c3ccccc3C[C@@H]2C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O/c1-12-11-14-5-3-4-6-17(14)23(12)19(25)18-21-13(2)24(22-18)16-9-7-15(20)8-10-16/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyZVLHLDDJQPLBLP-LBPRGKRZSA-N
MW352.83 g/mol
LogP3.82
Rot. Bonds2

About [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone

[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (PubChem CID 99697362) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
PubChem CID99697362
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone
SMILESCc1nc(C(=O)N2c3ccccc3C[C@@H]2C)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C19H17ClN4O/c1-12-11-14-5-3-4-6-17(14)23(12)19(25)18-21-13(2)24(22-18)16-9-7-15(20)8-10-16/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyZVLHLDDJQPLBLP-LBPRGKRZSA-N
XLogP3.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 53.82
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
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(1,5-diphenyl-1,2,4-triazol-3-yl)-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 25363059
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 4809640
(2-methyl-2,3-dihydroindol-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46538773
(4-benzylpiperazin-1-yl)-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanone
CID 24540168
2-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 41066115
1-[4-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 78827255
[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(5-methyl-2-phenyltriazol-4-yl)methanone
CID 26910878
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
[1-(4-bromophenyl)-5-methylpyrazol-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 42943792
[1-(4-chlorobenzoyl)piperidin-4-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 17119359

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone (CID 99697362) is [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is Cc1nc(C(=O)N2c3ccccc3C[C@@H]2C)nn1-c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
The InChIKey is ZVLHLDDJQPLBLP-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-12-11-14-5-3-4-6-17(14)23(12)19(25)18-21-13(2)24(22-18)16-9-7-15(20)8-10-16/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone?
[1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone has a molecular weight of 352.83 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2S)-2-methyl-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 99697362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).