3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one

C20H21N5O — CID 131937326

IUPAC3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one
SMILESCCc1nc(CCn2c(=O)[nH]c3ccccc32)n(Cc2ccccc2)n1
InChIInChI=1S/C20H21N5O/c1-2-18-22-19(25(23-18)14-15-8-4-3-5-9-15)12-13-24-17-11-7-6-10-16(17)21-20(24)26/h3-11H,2,12-14H2,1H3,(H,21,26)
InChIKeyBBFHTDCULQGKIT-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.77
Rot. Bonds6

About 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one

3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one (PubChem CID 131937326) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one
PubChem CID131937326
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one
SMILESCCc1nc(CCn2c(=O)[nH]c3ccccc32)n(Cc2ccccc2)n1
InChIInChI=1S/C20H21N5O/c1-2-18-22-19(25(23-18)14-15-8-4-3-5-9-15)12-13-24-17-11-7-6-10-16(17)21-20(24)26/h3-11H,2,12-14H2,1H3,(H,21,26)
InChIKeyBBFHTDCULQGKIT-UHFFFAOYSA-N
XLogP2.77
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-chloro-5-methyl-1,2,4-triazol-1-yl)propyl]-1H-benzimidazol-2-one
CID 167874371
3-(2-oxo-3H-benzimidazol-1-yl)propyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate
CID 16543511
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]ethanesulfonamide
CID 110400794
3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 4681038
3-[(4-tert-butylphenyl)methyl]-1H-benzimidazol-2-one
CID 755579
1-(2-phenylethyl)-3H-imidazo[4,5-c]pyridin-2-one
CID 70318245
N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]-1-phenylmethanesulfonamide
CID 110603181
3-[2-[2-chloroethyl(propyl)amino]ethyl]-1H-benzimidazol-2-one
CID 153399355
[1-benzyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]methanol
CID 562532
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(2-aminopropyl)-1H-benzimidazol-2-one
CID 13174707
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one (CID 131937326) is 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one is CCc1nc(CCn2c(=O)[nH]c3ccccc32)n(Cc2ccccc2)n1.
What is the InChIKey of 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one?
The InChIKey is BBFHTDCULQGKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-2-18-22-19(25(23-18)14-15-8-4-3-5-9-15)12-13-24-17-11-7-6-10-16(17)21-20(24)26/h3-11H,2,12-14H2,1H3,(H,21,26).
What are the key properties of 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one?
3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one has a molecular weight of 347.42 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 3-[2-(2-benzyl-5-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 131937326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).