azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole

C14H23N3S — CID 174929488

IUPACazane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole
SMILESC1=NCCN1CCCCSCc1ccccc1.N
InChIInChI=1S/C14H20N2S.H3N/c1-2-6-14(7-3-1)12-17-11-5-4-9-16-10-8-15-13-16;/h1-3,6-7,13H,4-5,8-12H2;1H3
InChIKeyLWKCLZJBMKUWMO-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.21
Rot. Bonds7

About azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole

azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole (PubChem CID 174929488) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Nameazane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole
PubChem CID174929488
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Nameazane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole
SMILESC1=NCCN1CCCCSCc1ccccc1.N
InChIInChI=1S/C14H20N2S.H3N/c1-2-6-14(7-3-1)12-17-11-5-4-9-16-10-8-15-13-16;/h1-3,6-7,13H,4-5,8-12H2;1H3
InChIKeyLWKCLZJBMKUWMO-UHFFFAOYSA-N
XLogP3.21
TPSA50.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-phenylpropyl)-4,5-dihydroimidazole
CID 141497895
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
3-[3-(3-benzylsulfanylpropylsulfanyl)propylsulfanyl]propylsulfanylmethylbenzene
CID 15805005
azane;1-tetradecyl-4,5-dihydroimidazole
CID 174807620
1-(4-bromobutyl)-4,5-dihydroimidazole
CID 22169371
1-[4-(3-benzylsulfanylpropyl)piperazin-1-yl]ethanone
CID 75434924
4-benzylsulfanylbutylsulfanylbenzene
CID 10803322
tris(4-benzylsulfanylbutyl) borate
CID 139922331
4-benzylsulfanylbutanoic acid
CID 22388924
4-(3-phenylpropylsulfanylmethyl)benzoic acid
CID 82178239
N-(4-benzylsulfanylbutyl)cyclopropanamine
CID 62584452
N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 118585042

Frequently Asked Questions

What is the IUPAC name of azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole?
The IUPAC name of azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole (CID 174929488) is azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole.
What is the SMILES notation for azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole?
The canonical SMILES for azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole is C1=NCCN1CCCCSCc1ccccc1.N.
What is the InChIKey of azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole?
The InChIKey is LWKCLZJBMKUWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S.H3N/c1-2-6-14(7-3-1)12-17-11-5-4-9-16-10-8-15-13-16;/h1-3,6-7,13H,4-5,8-12H2;1H3.
What are the key properties of azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole?
azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole has a molecular weight of 265.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-(4-benzylsulfanylbutyl)-4,5-dihydroimidazole is sourced from PubChem (CID 174929488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).