(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine

C16H25N3 — CID 24856291

IUPAC(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C
InChIInChI=1S/C16H25N3/c1-4-13(2)10-11-19-14(3)12-17-16(19)18-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyPDZFVTGOYBXVAX-KZUDCZAMSA-N
MW259.40 g/mol
LogP3.59
Rot. Bonds5

About (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine

(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856291) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856291
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESCCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C
InChIInChI=1S/C16H25N3/c1-4-13(2)10-11-19-14(3)12-17-16(19)18-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,17,18)/t13?,14-/m0/s1
InChIKeyPDZFVTGOYBXVAX-KZUDCZAMSA-N
XLogP3.59
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Flutonidine
CID 65761
Imidazolidine, 2-(2-methylphenylimino)-
CID 142067
N1-(4,5-Dihydro-1h-Imidazol-2-Yl)-N4-(4-((4,5-Dihydro-1h-Imidazol-2-Yl)amino)phenyl)benzene-1,4-Diamine
CID 10019859
Guanidine, N-cyano-N'-phenyl-N''-(1,2,2-trimethylpropyl)-
CID 3050782
N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 2731293
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-N-methylaniline
CID 13869765
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-phenylbenzene-1,4-diamine
CID 17755645
N1-(4,5-Dihydro-1H-imidazol-2-yl)benzene-1,4-diamine
CID 20397157
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-methylbenzene-1,4-diamine
CID 25209507
4-N-(4,5-dihydro-1H-imidazol-2-yl)-1-N-ethylbenzene-1,4-diamine
CID 25209509
1-N-(4,5-dihydro-1H-imidazol-2-yl)-4-N-ethyl-4-N-methylbenzene-1,4-diamine
CID 25209826
N-phenyl-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 52942945

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856291) is (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine is CCC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C.
What is the InChIKey of (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is PDZFVTGOYBXVAX-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-13(2)10-11-19-14(3)12-17-16(19)18-15-8-6-5-7-9-15/h5-9,13-14H,4,10-12H2,1-3H3,(H,17,18)/t13?,14-/m0/s1.
What are the key properties of (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 259.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-1-(3-methylpentyl)-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).