6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole

C18H10ClF3N2O — CID 46838554

IUPAC6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2cc(Oc3cccc4ccccc34)c(Cl)cc2[nH]1
InChIInChI=1S/C18H10ClF3N2O/c19-12-8-13-14(24-17(23-13)18(20,21)22)9-16(12)25-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,(H,23,24)
InChIKeyMFAYVIPNXARIGH-UHFFFAOYSA-N
MW362.74 g/mol
LogP6.18
Rot. Bonds2

About 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole

6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole (PubChem CID 46838554) has the molecular formula C18H10ClF3N2O and a molecular weight of 362.74 g/mol. Its IUPAC name is 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole
PubChem CID46838554
Molecular FormulaC18H10ClF3N2O
Molecular Weight362.74 g/mol
Exact Mass362.04
IUPAC Name6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1nc2cc(Oc3cccc4ccccc34)c(Cl)cc2[nH]1
InChIInChI=1S/C18H10ClF3N2O/c19-12-8-13-14(24-17(23-13)18(20,21)22)9-16(12)25-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,(H,23,24)
InChIKeyMFAYVIPNXARIGH-UHFFFAOYSA-N
XLogP6.18
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.74
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole (CID 46838554) is 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1nc2cc(Oc3cccc4ccccc34)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is MFAYVIPNXARIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N2O/c19-12-8-13-14(24-17(23-13)18(20,21)22)9-16(12)25-15-7-3-5-10-4-1-2-6-11(10)15/h1-9H,(H,23,24).
What are the key properties of 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole?
6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 362.74 g/mol, XLogP of 6.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-naphthalen-1-yloxy-2-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 46838554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).