5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole

C13H13BrF2N2 — CID 118338608

IUPAC5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole
SMILESFC1(F)CCC(n2cnc3cc(Br)ccc32)CC1
InChIInChI=1S/C13H13BrF2N2/c14-9-1-2-12-11(7-9)17-8-18(12)10-3-5-13(15,16)6-4-10/h1-2,7-8,10H,3-6H2
InChIKeyYPZFILFUAHHMFG-UHFFFAOYSA-N
MW315.16 g/mol
LogP4.55
Rot. Bonds1

About 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole

5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole (PubChem CID 118338608) has the molecular formula C13H13BrF2N2 and a molecular weight of 315.16 g/mol. Its IUPAC name is 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole
PubChem CID118338608
Molecular FormulaC13H13BrF2N2
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole
SMILESFC1(F)CCC(n2cnc3cc(Br)ccc32)CC1
InChIInChI=1S/C13H13BrF2N2/c14-9-1-2-12-11(7-9)17-8-18(12)10-3-5-13(15,16)6-4-10/h1-2,7-8,10H,3-6H2
InChIKeyYPZFILFUAHHMFG-UHFFFAOYSA-N
XLogP4.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole?
The IUPAC name of 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole (CID 118338608) is 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole?
The canonical SMILES for 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole is FC1(F)CCC(n2cnc3cc(Br)ccc32)CC1.
What is the InChIKey of 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole?
The InChIKey is YPZFILFUAHHMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N2/c14-9-1-2-12-11(7-9)17-8-18(12)10-3-5-13(15,16)6-4-10/h1-2,7-8,10H,3-6H2.
What are the key properties of 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole?
5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole has a molecular weight of 315.16 g/mol, XLogP of 4.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole is sourced from PubChem (CID 118338608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).