2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile

C10H15N3 — CID 116880505

IUPAC2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile
SMILESCC(C)c1cnc(C(C)(C)C#N)[nH]1
InChIInChI=1S/C10H15N3/c1-7(2)8-5-12-9(13-8)10(3,4)6-11/h5,7H,1-4H3,(H,12,13)
InChIKeyIFBLBODBHDJVMX-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.33
Rot. Bonds2

About 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile

2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile (PubChem CID 116880505) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile
PubChem CID116880505
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile
SMILESCC(C)c1cnc(C(C)(C)C#N)[nH]1
InChIInChI=1S/C10H15N3/c1-7(2)8-5-12-9(13-8)10(3,4)6-11/h5,7H,1-4H3,(H,12,13)
InChIKeyIFBLBODBHDJVMX-UHFFFAOYSA-N
XLogP2.33
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole
CID 68753870
2-(5-propan-2-yl-1H-imidazol-2-yl)pentan-2-amine
CID 82237987
methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate
CID 116880471
2,5-di(propan-2-yl)-1H-imidazole
CID 161147285
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880579
2-[5-(4-methoxy-3,5-dimethylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880587
ethane;5-propan-2-yl-1H-imidazol-2-amine
CID 163265952
2-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-2-methylpropanenitrile
CID 116880575
5-propan-2-yl-2-prop-1-en-2-yl-1H-imidazole
CID 166836338
2-(5-propan-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 79395187
N-[(5-propan-2-yl-1H-imidazol-2-yl)methyl]propan-2-amine
CID 82237976
(2-tert-butyl-1H-imidazol-5-yl)-methoxymethanol
CID 154965158

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile?
The IUPAC name of 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile (CID 116880505) is 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile.
What is the SMILES notation for 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile?
The canonical SMILES for 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile is CC(C)c1cnc(C(C)(C)C#N)[nH]1.
What is the InChIKey of 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile?
The InChIKey is IFBLBODBHDJVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-7(2)8-5-12-9(13-8)10(3,4)6-11/h5,7H,1-4H3,(H,12,13).
What are the key properties of 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile?
2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile has a molecular weight of 177.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanenitrile is sourced from PubChem (CID 116880505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).