1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine

C27H29FN4 — CID 12891521

IUPAC1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
SMILESFc1ccc(Cn2c(NC3CCN(CCc4ccccc4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C27H29FN4/c28-23-12-10-22(11-13-23)20-32-26-9-5-4-8-25(26)30-27(32)29-24-15-18-31(19-16-24)17-14-21-6-2-1-3-7-21/h1-13,24H,14-20H2,(H,29,30)
InChIKeyUJYMLOAOICJQRV-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.34
Rot. Bonds7

About 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine

1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine (PubChem CID 12891521) has the molecular formula C27H29FN4 and a molecular weight of 428.56 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
PubChem CID12891521
Molecular FormulaC27H29FN4
Molecular Weight428.56 g/mol
Exact Mass428.24
IUPAC Name1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine
SMILESFc1ccc(Cn2c(NC3CCN(CCc4ccccc4)CC3)nc3ccccc32)cc1
InChIInChI=1S/C27H29FN4/c28-23-12-10-22(11-13-23)20-32-26-9-5-4-8-25(26)30-27(32)29-24-15-18-31(19-16-24)17-14-21-6-2-1-3-7-21/h1-13,24H,14-20H2,(H,29,30)
InChIKeyUJYMLOAOICJQRV-UHFFFAOYSA-N
XLogP5.34
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine (CID 12891521) is 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine is Fc1ccc(Cn2c(NC3CCN(CCc4ccccc4)CC3)nc3ccccc32)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine?
The InChIKey is UJYMLOAOICJQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4/c28-23-12-10-22(11-13-23)20-32-26-9-5-4-8-25(26)30-27(32)29-24-15-18-31(19-16-24)17-14-21-6-2-1-3-7-21/h1-13,24H,14-20H2,(H,29,30).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine?
1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine has a molecular weight of 428.56 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]benzimidazol-2-amine is sourced from PubChem (CID 12891521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).