2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide

C19H21N7O — CID 86285398

IUPAC2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCCc3nc4ccccc4n3C)nc2n1
InChIInChI=1S/C19H21N7O/c1-12-10-13(2)26-19(21-12)23-16(24-26)11-18(27)20-9-8-17-22-14-6-4-5-7-15(14)25(17)3/h4-7,10H,8-9,11H2,1-3H3,(H,20,27)
InChIKeyOXUVVJKXEMNCPI-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.53
Rot. Bonds5

About 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide

2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 86285398) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID86285398
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
SMILESCc1cc(C)n2nc(CC(=O)NCCc3nc4ccccc4n3C)nc2n1
InChIInChI=1S/C19H21N7O/c1-12-10-13(2)26-19(21-12)23-16(24-26)11-18(27)20-9-8-17-22-14-6-4-5-7-15(14)25(17)3/h4-7,10H,8-9,11H2,1-3H3,(H,20,27)
InChIKeyOXUVVJKXEMNCPI-UHFFFAOYSA-N
XLogP1.53
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
2-(4-chlorophenyl)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]acetamide
CID 16993804
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]acetamide
CID 60509713
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-3-phenoxypropanamide
CID 110711950
3-(3-fluorophenyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 110711966
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
2-(cyclopropylmethylsulfanyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 90648634
4-(3,5-dimethylpyrazol-1-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 27677632
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 71710226

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide (CID 86285398) is 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide is Cc1cc(C)n2nc(CC(=O)NCCc3nc4ccccc4n3C)nc2n1.
What is the InChIKey of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is OXUVVJKXEMNCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c1-12-10-13(2)26-19(21-12)23-16(24-26)11-18(27)20-9-8-17-22-14-6-4-5-7-15(14)25(17)3/h4-7,10H,8-9,11H2,1-3H3,(H,20,27).
What are the key properties of 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide?
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 363.43 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 86285398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).