7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole

C12H12BrF3N2O — CID 18316613

IUPAC7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C(F)(F)F)nc2c(OC)ccc(Br)c21
InChIInChI=1S/C12H12BrF3N2O/c1-3-6-18-10-7(13)4-5-8(19-2)9(10)17-11(18)12(14,15)16/h4-5H,3,6H2,1-2H3
InChIKeyWOSVZCDZDATDNS-UHFFFAOYSA-N
MW337.14 g/mol
LogP4.24
Rot. Bonds3

About 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole

7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole (PubChem CID 18316613) has the molecular formula C12H12BrF3N2O and a molecular weight of 337.14 g/mol. Its IUPAC name is 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole
PubChem CID18316613
Molecular FormulaC12H12BrF3N2O
Molecular Weight337.14 g/mol
Exact Mass336.01
IUPAC Name7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole
SMILESCCCn1c(C(F)(F)F)nc2c(OC)ccc(Br)c21
InChIInChI=1S/C12H12BrF3N2O/c1-3-6-18-10-7(13)4-5-8(19-2)9(10)17-11(18)12(14,15)16/h4-5H,3,6H2,1-2H3
InChIKeyWOSVZCDZDATDNS-UHFFFAOYSA-N
XLogP4.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole (CID 18316613) is 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole is CCCn1c(C(F)(F)F)nc2c(OC)ccc(Br)c21.
What is the InChIKey of 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is WOSVZCDZDATDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N2O/c1-3-6-18-10-7(13)4-5-8(19-2)9(10)17-11(18)12(14,15)16/h4-5H,3,6H2,1-2H3.
What are the key properties of 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole?
7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 337.14 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 18316613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).