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

C18H27N3 — CID 24856248

IUPAC(5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccccc2)N1CC1CCCCCC1
InChIInChI=1S/C18H27N3/c1-15-13-19-18(20-17-11-7-4-8-12-17)21(15)14-16-9-5-2-3-6-10-16/h4,7-8,11-12,15-16H,2-3,5-6,9-10,13-14H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyVLXPEUQEAFZOEG-HNNXBMFYSA-N
MW285.44 g/mol
LogP4.13
Rot. Bonds3

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

(5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 24856248) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID24856248
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name(5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine
SMILESC[C@H]1CN=C(Nc2ccccc2)N1CC1CCCCCC1
InChIInChI=1S/C18H27N3/c1-15-13-19-18(20-17-11-7-4-8-12-17)21(15)14-16-9-5-2-3-6-10-16/h4,7-8,11-12,15-16H,2-3,5-6,9-10,13-14H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyVLXPEUQEAFZOEG-HNNXBMFYSA-N
XLogP4.13
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine (CID 24856248) is (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine is C[C@H]1CN=C(Nc2ccccc2)N1CC1CCCCCC1.
What is the InChIKey of (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is VLXPEUQEAFZOEG-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3/c1-15-13-19-18(20-17-11-7-4-8-12-17)21(15)14-16-9-5-2-3-6-10-16/h4,7-8,11-12,15-16H,2-3,5-6,9-10,13-14H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine?
(5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 285.44 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(cycloheptylmethyl)-5-methyl-N-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 24856248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).