(1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C17H16N4O — CID 2950653

IUPAC(1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C17H16N4O/c1-11-9-12-5-3-4-6-15(12)21(11)17(22)13-7-8-16-14(10-13)18-19-20(16)2/h3-8,10-11H,9H2,1-2H3
InChIKeyLBTDPRQVAPEDGK-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.56
Rot. Bonds1

About (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 2950653) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID2950653
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name(1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C
InChIInChI=1S/C17H16N4O/c1-11-9-12-5-3-4-6-15(12)21(11)17(22)13-7-8-16-14(10-13)18-19-20(16)2/h3-8,10-11H,9H2,1-2H3
InChIKeyLBTDPRQVAPEDGK-UHFFFAOYSA-N
XLogP2.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
CID 15959243
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone
CID 3229070
N-benzyl-N-isopropyl-2,1,3-benzothiadiazole-5-carboxamide
CID 2814456
1H-benzotriazol-1-yl[4-(dimethylamino)phenyl]methanone
CID 694547
1,3-dimethyl-N-[2-(2-methylindol-1-yl)ethyl]-2-oxobenzimidazole-5-carboxamide
CID 90680556
1-methyl-N-phenyl-1H-benzotriazole-5-carboxamide
CID 900745
1-Methyl-1H-benzotriazole-5-carboxylic acid (2-fluoro-phenyl)-amide
CID 1088543
2-(Benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone
CID 15959246
2-(Benzotriazol-1-yl)-1-(4-dimethylaminophenyl)ethanone
CID 15959247
N-tert-butyl-1-methylbenzotriazole-5-carboxamide
CID 644913
1-(2,3-Dihydro-indol-1-yl)-2-[4-(5-trifluoromethyl-benzotriazol-1-yl)-piperidin-1-yl]-ethanone
CID 645204
[4-(5-Fluoro-benzotriazol-1-yl)-piperidin-1-yl]-m-tolyl-methanone
CID 645649

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 2950653) is (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C.
What is the InChIKey of (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LBTDPRQVAPEDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-11-9-12-5-3-4-6-15(12)21(11)17(22)13-7-8-16-14(10-13)18-19-20(16)2/h3-8,10-11H,9H2,1-2H3.
What are the key properties of (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 292.34 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 2950653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).