molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole

C12H16N2 — CID 145111128

IUPACmolecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole
SMILES[H][H].c1ccc(C2CC2C2=NCCN2)cc1
InChIInChI=1S/C12H14N2.H2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12;/h1-5,10-11H,6-8H2,(H,13,14);1H
InChIKeyXEPVMUKBRJRKNJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.04
Rot. Bonds2

About molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole

molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole (PubChem CID 145111128) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Namemolecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole
PubChem CID145111128
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Namemolecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole
SMILES[H][H].c1ccc(C2CC2C2=NCCN2)cc1
InChIInChI=1S/C12H14N2.H2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12;/h1-5,10-11H,6-8H2,(H,13,14);1H
InChIKeyXEPVMUKBRJRKNJ-UHFFFAOYSA-N
XLogP2.04
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
4-chloro-2-(2-phenylcyclopropyl)-1,4-dihydroquinazoline
CID 20604133
2-[(1S,2R)-2-phenylcyclopropyl]pyridine
CID 124647097
3-chloro-5-(2-phenylcyclopropyl)-1,2,4-oxadiazole
CID 112572113
N-[(1R,2S)-2-phenylcyclopropyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 120665878
N-(2-phenyl-2,3-dihydro-1H-inden-1-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 24936510
oxalic acid;2-[(2S,3S)-3-(2-phenylphenyl)oxiran-2-yl]-4,5-dihydro-1H-imidazole
CID 11164056
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate
CID 66774628
3-bromo-5-(2-phenylcyclopropyl)-1,2,4-thiadiazole
CID 102943367
2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole
CID 5251372
3,6-dichloro-4-[(1S,2S)-2-phenylcyclopropyl]pyridazine
CID 169288678
1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
CID 19881180

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole (CID 145111128) is molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole is [H][H].c1ccc(C2CC2C2=NCCN2)cc1.
What is the InChIKey of molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole?
The InChIKey is XEPVMUKBRJRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.H2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12;/h1-5,10-11H,6-8H2,(H,13,14);1H.
What are the key properties of molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole?
molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 145111128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).