(5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine

C17H25N3 — CID 23640798

IUPAC(5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CC1CCCCC1
InChIInChI=1S/C17H25N3/c18-17-19-12-16(11-14-7-3-1-4-8-14)20(17)13-15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H2,18,19)/t16-/m0/s1
InChIKeySMPVQQRRGRTZKW-INIZCTEOSA-N
MW271.41 g/mol
LogP2.81
Rot. Bonds4

About (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine

(5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 23640798) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name(5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID23640798
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name(5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NC[C@H](Cc2ccccc2)N1CC1CCCCC1
InChIInChI=1S/C17H25N3/c18-17-19-12-16(11-14-7-3-1-4-8-14)20(17)13-15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H2,18,19)/t16-/m0/s1
InChIKeySMPVQQRRGRTZKW-INIZCTEOSA-N
XLogP2.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine (CID 23640798) is (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NC[C@H](Cc2ccccc2)N1CC1CCCCC1.
What is the InChIKey of (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is SMPVQQRRGRTZKW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3/c18-17-19-12-16(11-14-7-3-1-4-8-14)20(17)13-15-9-5-2-6-10-15/h1,3-4,7-8,15-16H,2,5-6,9-13H2,(H2,18,19)/t16-/m0/s1.
What are the key properties of (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine?
(5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 271.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-1-(cyclohexylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 23640798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).