6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole

C12H10BrF3N2O — CID 122687979

IUPAC6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole
SMILESFC(F)(F)Oc1cc2ncn(CC3CC3)c2cc1Br
InChIInChI=1S/C12H10BrF3N2O/c13-8-3-10-9(4-11(8)19-12(14,15)16)17-6-18(10)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyCKLJRWBPUUNSSR-UHFFFAOYSA-N
MW335.12 g/mol
LogP4.11
Rot. Bonds3

About 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole

6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole (PubChem CID 122687979) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole
PubChem CID122687979
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole
SMILESFC(F)(F)Oc1cc2ncn(CC3CC3)c2cc1Br
InChIInChI=1S/C12H10BrF3N2O/c13-8-3-10-9(4-11(8)19-12(14,15)16)17-6-18(10)5-7-1-2-7/h3-4,6-7H,1-2,5H2
InChIKeyCKLJRWBPUUNSSR-UHFFFAOYSA-N
XLogP4.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole?
The IUPAC name of 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole (CID 122687979) is 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole.
What is the SMILES notation for 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole?
The canonical SMILES for 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole is FC(F)(F)Oc1cc2ncn(CC3CC3)c2cc1Br.
What is the InChIKey of 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole?
The InChIKey is CKLJRWBPUUNSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c13-8-3-10-9(4-11(8)19-12(14,15)16)17-6-18(10)5-7-1-2-7/h3-4,6-7H,1-2,5H2.
What are the key properties of 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole?
6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole has a molecular weight of 335.12 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(cyclopropylmethyl)-5-(trifluoromethoxy)benzimidazole is sourced from PubChem (CID 122687979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).