1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine

C16H19F2N3 — CID 106565229

IUPAC1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine
SMILESFc1ccc(CNc2nccn2C2CCCCC2)cc1F
InChIInChI=1S/C16H19F2N3/c17-14-7-6-12(10-15(14)18)11-20-16-19-8-9-21(16)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,19,20)
InChIKeyGVWYAXWXYZKTIW-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.28
Rot. Bonds4

About 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine

1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine (PubChem CID 106565229) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine
PubChem CID106565229
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine
SMILESFc1ccc(CNc2nccn2C2CCCCC2)cc1F
InChIInChI=1S/C16H19F2N3/c17-14-7-6-12(10-15(14)18)11-20-16-19-8-9-21(16)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,19,20)
InChIKeyGVWYAXWXYZKTIW-UHFFFAOYSA-N
XLogP4.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine (CID 106565229) is 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine is Fc1ccc(CNc2nccn2C2CCCCC2)cc1F.
What is the InChIKey of 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine?
The InChIKey is GVWYAXWXYZKTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c17-14-7-6-12(10-15(14)18)11-20-16-19-8-9-21(16)13-4-2-1-3-5-13/h6-10,13H,1-5,11H2,(H,19,20).
What are the key properties of 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine?
1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine has a molecular weight of 291.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3,4-difluorophenyl)methyl]imidazol-2-amine is sourced from PubChem (CID 106565229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).