[(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol

C12H16N2O2 — CID 91584546

IUPAC[(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol
SMILESCN1C[C@H](Cc2ccccc2)N=C1C(O)O
InChIInChI=1S/C12H16N2O2/c1-14-8-10(13-11(14)12(15)16)7-9-5-3-2-4-6-9/h2-6,10,12,15-16H,7-8H2,1H3/t10-/m0/s1
InChIKeyQIVHMAPSQYBIBU-JTQLQIEISA-N
MW220.27 g/mol
LogP0.25
Rot. Bonds3

About [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol

[(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol (PubChem CID 91584546) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol.

Molecular Properties

Compound Name[(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol
PubChem CID91584546
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name[(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol
SMILESCN1C[C@H](Cc2ccccc2)N=C1C(O)O
InChIInChI=1S/C12H16N2O2/c1-14-8-10(13-11(14)12(15)16)7-9-5-3-2-4-6-9/h2-6,10,12,15-16H,7-8H2,1H3/t10-/m0/s1
InChIKeyQIVHMAPSQYBIBU-JTQLQIEISA-N
XLogP0.25
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-benzyl-N,1-di(propan-2-yl)-4,5-dihydroimidazol-2-amine
CID 10658971
N-(4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl)-4-methylbenzenesulfonamide
CID 10617361
(2R)-2-benzyl-1-methylaziridine
CID 87174257
2-benzyl-4-ethyl-1-methyl-4,5-dihydroimidazole
CID 175140303
(4-benzyl-2-phenyl-4,5-dihydroimidazol-1-yl)-phenylmethanone
CID 11198598
azane;1,2,4-tribenzyl-4,5-dihydroimidazole
CID 175325787
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-ol
CID 170024227
(2R)-2-benzyl-5-[(2R)-2-benzyl-3,4-dihydro-2H-pyrrol-5-yl]-3,4-dihydro-2H-pyrrole
CID 100922703
(4S)-4-benzyl-2-[[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-phenylmethyl]-4,5-dihydro-1,3-oxazole
CID 102183101
5-benzyl-1-methylpiperazin-2-one
CID 44630649
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol?
The IUPAC name of [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol (CID 91584546) is [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol.
What is the SMILES notation for [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol?
The canonical SMILES for [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol is CN1C[C@H](Cc2ccccc2)N=C1C(O)O.
What is the InChIKey of [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol?
The InChIKey is QIVHMAPSQYBIBU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-8-10(13-11(14)12(15)16)7-9-5-3-2-4-6-9/h2-6,10,12,15-16H,7-8H2,1H3/t10-/m0/s1.
What are the key properties of [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol?
[(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol has a molecular weight of 220.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-benzyl-1-methyl-4,5-dihydroimidazol-2-yl]methanediol is sourced from PubChem (CID 91584546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).