N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine

C23H32FN3 — CID 67215155

IUPACN-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine
SMILESCn1cc(-c2ccc(F)cc2)nc1C(NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H32FN3/c1-27-16-21(17-12-14-19(24)15-13-17)26-23(27)22(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h12-16,18,20,22,25H,2-11H2,1H3
InChIKeyCOJYPBBBWRSJDO-UHFFFAOYSA-N
MW369.53 g/mol
LogP5.77
Rot. Bonds5

About N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine

N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine (PubChem CID 67215155) has the molecular formula C23H32FN3 and a molecular weight of 369.53 g/mol. Its IUPAC name is N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine
PubChem CID67215155
Molecular FormulaC23H32FN3
Molecular Weight369.53 g/mol
Exact Mass369.26
IUPAC NameN-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine
SMILESCn1cc(-c2ccc(F)cc2)nc1C(NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C23H32FN3/c1-27-16-21(17-12-14-19(24)15-13-17)26-23(27)22(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h12-16,18,20,22,25H,2-11H2,1H3
InChIKeyCOJYPBBBWRSJDO-UHFFFAOYSA-N
XLogP5.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.53
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine?
The IUPAC name of N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine (CID 67215155) is N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine.
What is the SMILES notation for N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine?
The canonical SMILES for N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine is Cn1cc(-c2ccc(F)cc2)nc1C(NC1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine?
The InChIKey is COJYPBBBWRSJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FN3/c1-27-16-21(17-12-14-19(24)15-13-17)26-23(27)22(18-8-4-2-5-9-18)25-20-10-6-3-7-11-20/h12-16,18,20,22,25H,2-11H2,1H3.
What are the key properties of N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine?
N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine has a molecular weight of 369.53 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-[4-(4-fluorophenyl)-1-methylimidazol-2-yl]methyl]cyclohexanamine is sourced from PubChem (CID 67215155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).