4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one

C21H25N5O — CID 166312762

IUPAC4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(C(C)NCCn2nnc3ccccc32)CC1=O
InChIInChI=1S/C21H25N5O/c1-15-7-3-5-9-19(15)25-14-17(13-21(25)27)16(2)22-11-12-26-20-10-6-4-8-18(20)23-24-26/h3-10,16-17,22H,11-14H2,1-2H3
InChIKeyFBCZQTGOTOHJLJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.77
Rot. Bonds6

About 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one

4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one (PubChem CID 166312762) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one
PubChem CID166312762
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one
SMILESCc1ccccc1N1CC(C(C)NCCn2nnc3ccccc32)CC1=O
InChIInChI=1S/C21H25N5O/c1-15-7-3-5-9-19(15)25-14-17(13-21(25)27)16(2)22-11-12-26-20-10-6-4-8-18(20)23-24-26/h3-10,16-17,22H,11-14H2,1-2H3
InChIKeyFBCZQTGOTOHJLJ-UHFFFAOYSA-N
XLogP2.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(benzotriazol-1-yl)ethyl]pentan-2-amine
CID 55087940
4-(benzotriazole-1-carbonyl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 17080693
4-[1-(3-methylbutyl)benzimidazol-2-yl]-1-(2-methylphenyl)pyrrolidin-2-one
CID 4274079
N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62562505
N-[2-(benzotriazol-1-yl)ethyl]-4-methylpentan-1-amine
CID 62563554
N-(3-methylbutyl)-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17080735
(4R)-1-(2-methylphenyl)-4-[1-(2-phenylethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 7011056
(4S)-1-(2-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010943
4-(1-ethylbenzimidazol-2-yl)-1-(2-methylphenyl)pyrrolidin-2-one
CID 4293513
(3R)-N-[(2R)-butan-2-yl]-1-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9350964
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231
1-[2-(2,6-dimethylphenoxy)ethyl]benzotriazole
CID 6490953

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one (CID 166312762) is 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one is Cc1ccccc1N1CC(C(C)NCCn2nnc3ccccc32)CC1=O.
What is the InChIKey of 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one?
The InChIKey is FBCZQTGOTOHJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-7-3-5-9-19(15)25-14-17(13-21(25)27)16(2)22-11-12-26-20-10-6-4-8-18(20)23-24-26/h3-10,16-17,22H,11-14H2,1-2H3.
What are the key properties of 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one?
4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one has a molecular weight of 363.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(benzotriazol-1-yl)ethylamino]ethyl]-1-(2-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 166312762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).