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

C17H25N3 — CID 24856305

IUPAC(5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccccc2)N1CC1CCCCC1
InChIInChI=1S/C17H25N3/c1-14-12-18-17(19-16-10-6-3-7-11-16)20(14)13-15-8-4-2-5-9-15/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyMEZGZSXSOTUDQG-AWEZNQCLSA-N
MW271.41 g/mol
LogP3.74
Rot. Bonds3

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

(5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856305) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856305
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccccc2)N1CC1CCCCC1
InChIInChI=1S/C17H25N3/c1-14-12-18-17(19-16-10-6-3-7-11-16)20(14)13-15-8-4-2-5-9-15/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyMEZGZSXSOTUDQG-AWEZNQCLSA-N
XLogP3.74
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856305) is (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(Nc2ccccc2)N1CC1CCCCC1.
What is the InChIKey of (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is MEZGZSXSOTUDQG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-12-18-17(19-16-10-6-3-7-11-16)20(14)13-15-8-4-2-5-9-15/h3,6-7,10-11,14-15H,2,4-5,8-9,12-13H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cyclohexylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).