1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole

C13H18N4 — CID 159013439

IUPAC1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.C1=NCCN1Cc1ccccc1
InChIInChI=1S/C10H12N2.C3H6N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-2-5-3-4-1/h1-5,9H,6-8H2;3H,1-2H2,(H,4,5)
InChIKeyJSUBDPOKNVLIEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.15
Rot. Bonds2

About 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole

1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole (PubChem CID 159013439) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole
PubChem CID159013439
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole
SMILESC1=NCCN1.C1=NCCN1Cc1ccccc1
InChIInChI=1S/C10H12N2.C3H6N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-2-5-3-4-1/h1-5,9H,6-8H2;3H,1-2H2,(H,4,5)
InChIKeyJSUBDPOKNVLIEI-UHFFFAOYSA-N
XLogP1.15
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenylpropyl)-4,5-dihydroimidazole
CID 141497895
1-benzyl-4,5-dihydroimidazole;(2-methylphenyl)urea
CID 174713516
benzoic acid;chloromethane;4,5-dihydro-1H-imidazole
CID 175209708
1-benzyl-5,6-dihydro-4H-pyrimidine;dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 15465808
azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole
CID 174929488
1-(3-phenylprop-2-enyl)-4,5-dihydroimidazole
CID 141320299
4-benzyl-3,5-dihydro-2H-pyrazine
CID 142271206
3-benzyl-1,2-dihydroimidazole
CID 67392024
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
azane;1-benzylpiperazine
CID 174866973
7-benzyl-4,4a,5,6-tetrahydro-1H-pyrido[3,4-d]pyrimidine
CID 90980384
1-benzyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 22044317

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole?
The IUPAC name of 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole (CID 159013439) is 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole.
What is the SMILES notation for 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole?
The canonical SMILES for 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole is C1=NCCN1.C1=NCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole?
The InChIKey is JSUBDPOKNVLIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.C3H6N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-2-5-3-4-1/h1-5,9H,6-8H2;3H,1-2H2,(H,4,5).
What are the key properties of 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole?
1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole has a molecular weight of 230.31 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dihydroimidazole;4,5-dihydro-1H-imidazole is sourced from PubChem (CID 159013439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).