2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine

C21H29N3O2Se — CID 174053351

IUPAC2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine
SMILESCC(C)c1cccc(C(C)C)c1N1C=C2C=CC=C(N(C)C)N2C1[SeH](=O)=O
InChIInChI=1S/C21H29N3O2Se/c1-14(2)17-10-8-11-18(15(3)4)20(17)23-13-16-9-7-12-19(22(5)6)24(16)21(23)27(25)26/h7-15,21,27H,1-6H3
InChIKeyXPAUYXXWIANHND-UHFFFAOYSA-N
MW434.44 g/mol
LogP3.82
Rot. Bonds5

About 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine

2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine (PubChem CID 174053351) has the molecular formula C21H29N3O2Se and a molecular weight of 434.44 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine
PubChem CID174053351
Molecular FormulaC21H29N3O2Se
Molecular Weight434.44 g/mol
Exact Mass435.14
IUPAC Name2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine
SMILESCC(C)c1cccc(C(C)C)c1N1C=C2C=CC=C(N(C)C)N2C1[SeH](=O)=O
InChIInChI=1S/C21H29N3O2Se/c1-14(2)17-10-8-11-18(15(3)4)20(17)23-13-16-9-7-12-19(22(5)6)24(16)21(23)27(25)26/h7-15,21,27H,1-6H3
InChIKeyXPAUYXXWIANHND-UHFFFAOYSA-N
XLogP3.82
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.44
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

chlorogold;2-[2,6-di(propan-2-yl)phenyl]-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-3-id-5-amine;phenylbenzene
CID 172516504
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dimethyl-2H-imidazole
CID 59439597
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazolidine-2-selone
CID 102228013
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanylidene]phosphane
CID 132942700
chlorogold;4-[2-[2,6-di(propan-2-yl)phenyl]-3H-imidazo[1,5-a]pyridin-3-id-5-yl]morpholine
CID 172516519
1-[1,3-bis[2,6-di(propan-2-yl)phenyl]-2-oxo-1,3,2λ5-diazaphospholidin-2-yl]propan-1-one
CID 134471318
1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
CID 16714946
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2H-imidazol-2-amine
CID 148740840
1-N,1-N-dimethyl-3-propan-2-ylbenzene-1,2-diamine
CID 131190038
1-[2,6-di(propan-2-yl)phenyl]piperidine
CID 10634131
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3,2-diazaborolidine
CID 102596424

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine?
The IUPAC name of 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine (CID 174053351) is 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine?
The canonical SMILES for 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine is CC(C)c1cccc(C(C)C)c1N1C=C2C=CC=C(N(C)C)N2C1[SeH](=O)=O.
What is the InChIKey of 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine?
The InChIKey is XPAUYXXWIANHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2Se/c1-14(2)17-10-8-11-18(15(3)4)20(17)23-13-16-9-7-12-19(22(5)6)24(16)21(23)27(25)26/h7-15,21,27H,1-6H3.
What are the key properties of 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine?
2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine has a molecular weight of 434.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)phenyl]-3-hydroselenonyl-N,N-dimethyl-3H-imidazo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 174053351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).