N-(cyclohexylmethyl)-1-phenylimidazol-2-amine

C16H21N3 — CID 106561651

IUPACN-(cyclohexylmethyl)-1-phenylimidazol-2-amine
SMILESc1ccc(-n2ccnc2NCC2CCCCC2)cc1
InChIInChI=1S/C16H21N3/c1-3-7-14(8-4-1)13-18-16-17-11-12-19(16)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,17,18)
InChIKeyRMYVCEJNPMEQJK-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.86
Rot. Bonds4

About N-(cyclohexylmethyl)-1-phenylimidazol-2-amine

N-(cyclohexylmethyl)-1-phenylimidazol-2-amine (PubChem CID 106561651) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-phenylimidazol-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-phenylimidazol-2-amine
PubChem CID106561651
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-(cyclohexylmethyl)-1-phenylimidazol-2-amine
SMILESc1ccc(-n2ccnc2NCC2CCCCC2)cc1
InChIInChI=1S/C16H21N3/c1-3-7-14(8-4-1)13-18-16-17-11-12-19(16)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,17,18)
InChIKeyRMYVCEJNPMEQJK-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-phenylimidazol-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-1-phenylimidazol-2-amine (CID 106561651) is N-(cyclohexylmethyl)-1-phenylimidazol-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-1-phenylimidazol-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-1-phenylimidazol-2-amine is c1ccc(-n2ccnc2NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-1-phenylimidazol-2-amine?
The InChIKey is RMYVCEJNPMEQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-7-14(8-4-1)13-18-16-17-11-12-19(16)15-9-5-2-6-10-15/h2,5-6,9-12,14H,1,3-4,7-8,13H2,(H,17,18).
What are the key properties of N-(cyclohexylmethyl)-1-phenylimidazol-2-amine?
N-(cyclohexylmethyl)-1-phenylimidazol-2-amine has a molecular weight of 255.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-phenylimidazol-2-amine is sourced from PubChem (CID 106561651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).