6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C20H23N5O2 — CID 82563945

IUPAC6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCOc1cc2nc3nc(NCC(C)(C)c4ccccc4)[nH]n3c2cc1OC
InChIInChI=1S/C20H23N5O2/c1-20(2,13-8-6-5-7-9-13)12-21-18-23-19-22-14-10-16(26-3)17(27-4)11-15(14)25(19)24-18/h5-11H,12H2,1-4H3,(H2,21,22,23,24)
InChIKeyKRLUUOYWUQWFPE-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.62
Rot. Bonds6

About 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82563945) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82563945
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCOc1cc2nc3nc(NCC(C)(C)c4ccccc4)[nH]n3c2cc1OC
InChIInChI=1S/C20H23N5O2/c1-20(2,13-8-6-5-7-9-13)12-21-18-23-19-22-14-10-16(26-3)17(27-4)11-15(14)25(19)24-18/h5-11H,12H2,1-4H3,(H2,21,22,23,24)
InChIKeyKRLUUOYWUQWFPE-UHFFFAOYSA-N
XLogP3.62
TPSA76.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563750
3-[(6,7-dimethoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]benzonitrile
CID 82563886
2-methoxy-N-(2-methyl-2-phenylpropyl)aniline
CID 82538820
2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
CID 82149384
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
5,6-dimethoxy-1-phenylbenzimidazol-2-amine
CID 83008746
ethyl 2-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564184
1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-(2-methyl-2-phenylpropyl)guanidine
CID 111202606
1-methyl-N-(2-methyl-2-phenylpropyl)imidazo[4,5-c]pyridin-4-amine
CID 103385442
2-(2-tert-butyl-5,6-dimethoxybenzimidazol-1-yl)ethanol
CID 82149367
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 65445010
N-(2-methyl-2-phenylpropyl)quinolin-2-amine
CID 63541485

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82563945) is 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is COc1cc2nc3nc(NCC(C)(C)c4ccccc4)[nH]n3c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is KRLUUOYWUQWFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-20(2,13-8-6-5-7-9-13)12-21-18-23-19-22-14-10-16(26-3)17(27-4)11-15(14)25(19)24-18/h5-11H,12H2,1-4H3,(H2,21,22,23,24).
What are the key properties of 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 365.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82563945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).