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

C19H20N4O — CID 53051636

IUPAC(2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C19H20N4O/c1-12(2)23-18-9-8-15(11-16(18)20-21-23)19(24)22-13(3)10-14-6-4-5-7-17(14)22/h4-9,11-13H,10H2,1-3H3
InChIKeyLBOVSUKRAUFSGV-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.60
Rot. Bonds2

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

(2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone (PubChem CID 53051636) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone
PubChem CID53051636
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C19H20N4O/c1-12(2)23-18-9-8-15(11-16(18)20-21-23)19(24)22-13(3)10-14-6-4-5-7-17(14)22/h4-9,11-13H,10H2,1-3H3
InChIKeyLBOVSUKRAUFSGV-UHFFFAOYSA-N
XLogP3.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-methyl-2,3-dihydroindol-1-yl]-(4-propan-2-ylphenyl)methanone
CID 26910929
N-[(2R,4S)-2-methyl-1-(1-propan-2-ylbenzotriazole-5-carbonyl)-3,4-dihydro-2H-quinolin-4-yl]-N-phenylpropanamide
CID 21093005
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]benzamide
CID 51729442
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 93238246
(3-iodophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2943863
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 25499914
(4-amino-3-fluorophenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62678879
(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
1H-indazol-6-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 60719171

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone?
The IUPAC name of (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone (CID 53051636) is (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone.
What is the SMILES notation for (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone?
The canonical SMILES for (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone is CC1Cc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C(C)C.
What is the InChIKey of (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone?
The InChIKey is LBOVSUKRAUFSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12(2)23-18-9-8-15(11-16(18)20-21-23)19(24)22-13(3)10-14-6-4-5-7-17(14)22/h4-9,11-13H,10H2,1-3H3.
What are the key properties of (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone?
(2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydroindol-1-yl)-(1-propan-2-ylbenzotriazol-5-yl)methanone is sourced from PubChem (CID 53051636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).