(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine

C19H29N3 — CID 16682613

IUPAC(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](c2ccccc2)N1CCCCC1CCCCC1
InChIInChI=1S/C19H29N3/c20-19-21-15-18(17-12-5-2-6-13-17)22(19)14-8-7-11-16-9-3-1-4-10-16/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H2,20,21)/t18-/m1/s1
InChIKeyOWCJTQHZMVKDLV-GOSISDBHSA-N
MW299.46 g/mol
LogP4.11
Rot. Bonds6

About (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine

(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 16682613) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID16682613
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](c2ccccc2)N1CCCCC1CCCCC1
InChIInChI=1S/C19H29N3/c20-19-21-15-18(17-12-5-2-6-13-17)22(19)14-8-7-11-16-9-3-1-4-10-16/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H2,20,21)/t18-/m1/s1
InChIKeyOWCJTQHZMVKDLV-GOSISDBHSA-N
XLogP4.11
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(Phenylmethyl)-1-piperazinecarboximidamide
CID 160903
1,2-Dibenzylguanidine
CID 33142
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-(4-phenylbutyl)-
CID 417287
1H-Imidazol-2-amine, 4,5-dihydro-4-phenyl-
CID 11298130
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
(5S)-1-[2-(3-fluorophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135386625
Deximafen
CID 163316
8,8-Diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine
CID 11543843
1,2-Dibenzylguanidine;hydrobromide
CID 12549981
6,6-Dimethyl-1-(2-phenylethyl)-1,3,5-triazine-2,4-diamine;hydrochloride
CID 24196215
(5S)-5-benzyl-1-(3-cyclopentylpropyl)-N,N-dimethyl-4,5-dihydroimidazol-2-amine
CID 25102539

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine (CID 16682613) is (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine is NC1=NC[C@H](c2ccccc2)N1CCCCC1CCCCC1.
What is the InChIKey of (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is OWCJTQHZMVKDLV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29N3/c20-19-21-15-18(17-12-5-2-6-13-17)22(19)14-8-7-11-16-9-3-1-4-10-16/h2,5-6,12-13,16,18H,1,3-4,7-11,14-15H2,(H2,20,21)/t18-/m1/s1.
What are the key properties of (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 299.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(4-cyclohexylbutyl)-5-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 16682613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).