1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine

C19H20ClFN4 — CID 155142908

IUPAC1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C19H20ClFN4/c20-15-8-7-13(10-16(15)21)11-25-18-6-2-1-5-17(18)23-19(25)24-9-3-4-14(22)12-24/h1-2,5-8,10,14H,3-4,9,11-12,22H2
InChIKeyPCSFISJORYNUBL-UHFFFAOYSA-N
MW358.85 g/mol
LogP3.80
Rot. Bonds3

About 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine

1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine (PubChem CID 155142908) has the molecular formula C19H20ClFN4 and a molecular weight of 358.85 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine
PubChem CID155142908
Molecular FormulaC19H20ClFN4
Molecular Weight358.85 g/mol
Exact Mass358.14
IUPAC Name1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine
SMILESNC1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)c(F)c2)C1
InChIInChI=1S/C19H20ClFN4/c20-15-8-7-13(10-16(15)21)11-25-18-6-2-1-5-17(18)23-19(25)24-9-3-4-14(22)12-24/h1-2,5-8,10,14H,3-4,9,11-12,22H2
InChIKeyPCSFISJORYNUBL-UHFFFAOYSA-N
XLogP3.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine?
The IUPAC name of 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine (CID 155142908) is 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine.
What is the SMILES notation for 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine?
The canonical SMILES for 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine is NC1CCCN(c2nc3ccccc3n2Cc2ccc(Cl)c(F)c2)C1.
What is the InChIKey of 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine?
The InChIKey is PCSFISJORYNUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN4/c20-15-8-7-13(10-16(15)21)11-25-18-6-2-1-5-17(18)23-19(25)24-9-3-4-14(22)12-24/h1-2,5-8,10,14H,3-4,9,11-12,22H2.
What are the key properties of 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine?
1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine has a molecular weight of 358.85 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-3-amine is sourced from PubChem (CID 155142908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).