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

Analyze 5-bromo-1-(4,4-difluorocyclohexyl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-cyclopropylbenzimidazole
CID 82496945
5-bromo-1-(oxetan-3-yl)benzimidazole
CID 83488440
5-bromo-1-(oxan-3-yl)benzimidazole
CID 118338387
N-[4-(5-bromobenzimidazol-1-yl)cyclohexyl]-2,2-dimethylpropanamide
CID 71468624
4-(6-bromobenzimidazol-1-yl)thiane 1-oxide
CID 139394841
5-bromo-1-(2-cyclohexylethyl)benzimidazole
CID 139211305
5-chloro-1-cyclohexylbenzimidazole
CID 15429072
1-(4-methylcyclohexyl)benzimidazol-5-amine
CID 62507500
N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine
CID 82495016
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686
1-cyclopentyl-5,6-dimethylbenzimidazole
CID 115900464
7-(1-cyclohexylbenzimidazol-5-yl)-5-(4,4-difluoropiperidin-1-yl)-3H-thieno[3,4-d]pyrimidin-4-one
CID 136999881

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).