(4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine

C20H35FN4 — CID 88887152

IUPAC(4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine
SMILES[H]/N=C1\N(CCF)C(N)=N[C@]1(CCC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C20H35FN4/c21-13-14-25-18(22)20(24-19(25)23,15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h16-17,22H,1-15H2,(H2,23,24)/b22-18-/t20-/m1/s1
InChIKeyMLLRVDGVNOHCDH-AFHODHPKSA-N
MW350.53 g/mol
LogP4.63
Rot. Bonds7

About (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine

(4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine (PubChem CID 88887152) has the molecular formula C20H35FN4 and a molecular weight of 350.53 g/mol. Its IUPAC name is (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine.

Molecular Properties

Compound Name(4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine
PubChem CID88887152
Molecular FormulaC20H35FN4
Molecular Weight350.53 g/mol
Exact Mass350.28
IUPAC Name(4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine
SMILES[H]/N=C1\N(CCF)C(N)=N[C@]1(CCC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C20H35FN4/c21-13-14-25-18(22)20(24-19(25)23,15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h16-17,22H,1-15H2,(H2,23,24)/b22-18-/t20-/m1/s1
InChIKeyMLLRVDGVNOHCDH-AFHODHPKSA-N
XLogP4.63
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.53
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine?
The IUPAC name of (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine (CID 88887152) is (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine.
What is the SMILES notation for (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine?
The canonical SMILES for (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine is [H]/N=C1\N(CCF)C(N)=N[C@]1(CCC1CCCCC1)CC1CCCCC1.
What is the InChIKey of (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine?
The InChIKey is MLLRVDGVNOHCDH-AFHODHPKSA-N. The full InChI is InChI=1S/C20H35FN4/c21-13-14-25-18(22)20(24-19(25)23,15-17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h16-17,22H,1-15H2,(H2,23,24)/b22-18-/t20-/m1/s1.
What are the key properties of (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine?
(4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine has a molecular weight of 350.53 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-cyclohexylethyl)-4-(cyclohexylmethyl)-1-(2-fluoroethyl)-5-iminoimidazol-2-amine is sourced from PubChem (CID 88887152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).