N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine

C15H21N3S — CID 11254374

IUPACN-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc(SC2CCCCC2)ccc1NC1=NCCN1
InChIInChI=1S/C15H21N3S/c1-2-4-13(5-3-1)19-14-8-6-12(7-9-14)18-15-16-10-11-17-15/h6-9,13H,1-5,10-11H2,(H2,16,17,18)
InChIKeyFARQPAAOAHDFGL-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.48
Rot. Bonds3

About N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine

N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11254374) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11254374
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESc1cc(SC2CCCCC2)ccc1NC1=NCCN1
InChIInChI=1S/C15H21N3S/c1-2-4-13(5-3-1)19-14-8-6-12(7-9-14)18-15-16-10-11-17-15/h6-9,13H,1-5,10-11H2,(H2,16,17,18)
InChIKeyFARQPAAOAHDFGL-UHFFFAOYSA-N
XLogP3.48
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methiotriazamine
CID 22401
N-[4-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]sulfanylphenyl]methanesulfonamide
CID 11175906
N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11186023
1H-Imidazol-2-amine, N-[4-[(4-chlorophenyl)thio]phenyl]-4,5-dihydro-
CID 11243628
1H-Imidazol-2-amine, 4,5-dihydro-N-[4-[(4-nitrophenyl)thio]phenyl]-
CID 11255468
N-(4-methylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 11390143
1H-Imidazol-2-amine, 4,5-dihydro-N-[4-(phenylthio)phenyl]-
CID 11391560
1H-Imidazol-2-amine, 4,5-dihydro-N-[4-[(4-methylphenyl)thio]phenyl]-
CID 11414893
N-[4-(4-tert-butylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11461526
N-[4-(2,6-dichlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11473193
N-[4-[4-(trifluoromethyl)phenyl]sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 11739220
4,4''''-Di(2-Imidazolidinylimino)Diphenyl Sulfide
CID 17755548

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine (CID 11254374) is N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine is c1cc(SC2CCCCC2)ccc1NC1=NCCN1.
What is the InChIKey of N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is FARQPAAOAHDFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-2-4-13(5-3-1)19-14-8-6-12(7-9-14)18-15-16-10-11-17-15/h6-9,13H,1-5,10-11H2,(H2,16,17,18).
What are the key properties of N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylsulfanylphenyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11254374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).