molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine

C11H15N3 — CID 144904418

IUPACmolecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine
SMILESCC(C)c1ncc(-c2cccnc2)[nH]1.[H][H]
InChIInChI=1S/C11H13N3.H2/c1-8(2)11-13-7-10(14-11)9-4-3-5-12-6-9;/h3-8H,1-2H3,(H,13,14);1H
InChIKeyTZVUDGXRIIOQFK-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.84
Rot. Bonds2

About molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine

molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine (PubChem CID 144904418) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine.

Molecular Properties

Compound Namemolecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine
PubChem CID144904418
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Namemolecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine
SMILESCC(C)c1ncc(-c2cccnc2)[nH]1.[H][H]
InChIInChI=1S/C11H13N3.H2/c1-8(2)11-13-7-10(14-11)9-4-3-5-12-6-9;/h3-8H,1-2H3,(H,13,14);1H
InChIKeyTZVUDGXRIIOQFK-UHFFFAOYSA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-pyridin-3-yl-1H-imidazol-2-yl)butanoic acid
CID 116878820
5-(3-methoxyphenyl)-2-propan-2-yl-1H-imidazole
CID 166267490
N,N-dimethyl-5-pyridin-3-yl-1H-imidazol-2-amine
CID 54038486
(5-pyridin-3-yl-1H-imidazol-2-yl)methanamine
CID 43649236
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-pyridin-3-yl-1H-imidazole-2-carbonitrile
CID 116879944
3-[2-[(4-methoxyphenyl)methyl]-1H-imidazol-5-yl]pyridine
CID 99963203
N,N-dimethyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)aniline
CID 141253763
(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid
CID 143516631
3-methyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)butan-1-amine
CID 116877166
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
3-(1H-imidazol-5-yl)pyridine;hydrochloride
CID 67500499

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine?
The IUPAC name of molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine (CID 144904418) is molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine.
What is the SMILES notation for molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine?
The canonical SMILES for molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine is CC(C)c1ncc(-c2cccnc2)[nH]1.[H][H].
What is the InChIKey of molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine?
The InChIKey is TZVUDGXRIIOQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.H2/c1-8(2)11-13-7-10(14-11)9-4-3-5-12-6-9;/h3-8H,1-2H3,(H,13,14);1H.
What are the key properties of molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine?
molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;3-(2-propan-2-yl-1H-imidazol-5-yl)pyridine is sourced from PubChem (CID 144904418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).