N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine

C19H14ClFN4O — CID 71016224

IUPACN-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine
SMILESFCc1cc(Nc2nc3ccc(Oc4ccncc4)cc3[nH]2)ccc1Cl
InChIInChI=1S/C19H14ClFN4O/c20-16-3-1-13(9-12(16)11-21)23-19-24-17-4-2-15(10-18(17)25-19)26-14-5-7-22-8-6-14/h1-10H,11H2,(H2,23,24,25)
InChIKeyGCETWUPWLZDGIM-UHFFFAOYSA-N
MW368.80 g/mol
LogP5.62
Rot. Bonds5

About N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine

N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine (PubChem CID 71016224) has the molecular formula C19H14ClFN4O and a molecular weight of 368.80 g/mol. Its IUPAC name is N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine
PubChem CID71016224
Molecular FormulaC19H14ClFN4O
Molecular Weight368.80 g/mol
Exact Mass368.08
IUPAC NameN-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine
SMILESFCc1cc(Nc2nc3ccc(Oc4ccncc4)cc3[nH]2)ccc1Cl
InChIInChI=1S/C19H14ClFN4O/c20-16-3-1-13(9-12(16)11-21)23-19-24-17-4-2-15(10-18(17)25-19)26-14-5-7-22-8-6-14/h1-10H,11H2,(H2,23,24,25)
InChIKeyGCETWUPWLZDGIM-UHFFFAOYSA-N
XLogP5.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.80
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine?
The IUPAC name of N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine (CID 71016224) is N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine is FCc1cc(Nc2nc3ccc(Oc4ccncc4)cc3[nH]2)ccc1Cl.
What is the InChIKey of N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine?
The InChIKey is GCETWUPWLZDGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O/c20-16-3-1-13(9-12(16)11-21)23-19-24-17-4-2-15(10-18(17)25-19)26-14-5-7-22-8-6-14/h1-10H,11H2,(H2,23,24,25).
What are the key properties of N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine?
N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine has a molecular weight of 368.80 g/mol, XLogP of 5.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(fluoromethyl)phenyl]-6-pyridin-4-yloxy-1H-benzimidazol-2-amine is sourced from PubChem (CID 71016224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).