3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine

C23H22FN5 — CID 168886146

IUPAC3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine
SMILESNC1CCCC(n2c(-c3ccccc3F)nc3ccc(-c4ncccn4)cc32)C1
InChIInChI=1S/C23H22FN5/c24-19-8-2-1-7-18(19)23-28-20-10-9-15(22-26-11-4-12-27-22)13-21(20)29(23)17-6-3-5-16(25)14-17/h1-2,4,7-13,16-17H,3,5-6,14,25H2
InChIKeyRQGNLIJPDDSZHN-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.74
Rot. Bonds3

About 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine

3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine (PubChem CID 168886146) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine
PubChem CID168886146
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine
SMILESNC1CCCC(n2c(-c3ccccc3F)nc3ccc(-c4ncccn4)cc32)C1
InChIInChI=1S/C23H22FN5/c24-19-8-2-1-7-18(19)23-28-20-10-9-15(22-26-11-4-12-27-22)13-21(20)29(23)17-6-3-5-16(25)14-17/h1-2,4,7-13,16-17H,3,5-6,14,25H2
InChIKeyRQGNLIJPDDSZHN-UHFFFAOYSA-N
XLogP4.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine?
The IUPAC name of 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine (CID 168886146) is 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine is NC1CCCC(n2c(-c3ccccc3F)nc3ccc(-c4ncccn4)cc32)C1.
What is the InChIKey of 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine?
The InChIKey is RQGNLIJPDDSZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c24-19-8-2-1-7-18(19)23-28-20-10-9-15(22-26-11-4-12-27-22)13-21(20)29(23)17-6-3-5-16(25)14-17/h1-2,4,7-13,16-17H,3,5-6,14,25H2.
What are the key properties of 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine?
3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine has a molecular weight of 387.46 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)-6-pyrimidin-2-ylbenzimidazol-1-yl]cyclohexan-1-amine is sourced from PubChem (CID 168886146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).