5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole

C15H18BrFN2 — CID 114458309

IUPAC5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(CC3CCCCCC3)nc2cc1Br
InChIInChI=1S/C15H18BrFN2/c16-11-8-13-14(9-12(11)17)19-15(18-13)7-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,18,19)
InChIKeyVAZUKYXFYVPNKZ-UHFFFAOYSA-N
MW325.23 g/mol
LogP4.98
Rot. Bonds2

About 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole

5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole (PubChem CID 114458309) has the molecular formula C15H18BrFN2 and a molecular weight of 325.23 g/mol. Its IUPAC name is 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
PubChem CID114458309
Molecular FormulaC15H18BrFN2
Molecular Weight325.23 g/mol
Exact Mass324.06
IUPAC Name5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole
SMILESFc1cc2[nH]c(CC3CCCCCC3)nc2cc1Br
InChIInChI=1S/C15H18BrFN2/c16-11-8-13-14(9-12(11)17)19-15(18-13)7-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,18,19)
InChIKeyVAZUKYXFYVPNKZ-UHFFFAOYSA-N
XLogP4.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.23
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,6-dichloro-2-(cyclohexylmethyl)-1H-benzimidazole
CID 82005203
6-bromo-2-(cyclopentylmethyl)-1H-benzimidazole
CID 64723934
2-(cyclopentylmethyl)-5,6-dimethyl-1H-benzimidazole
CID 60977974
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine
CID 112735044
2-(cyclohexylmethyl)-6-methyl-1H-benzimidazole
CID 10082509
5-bromo-2-(4-chlorobutyl)-6-fluoro-1H-benzimidazole
CID 79631505
5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418
5-bromo-6-fluoro-2-[2-(2-methylphenyl)ethyl]-1H-benzimidazole
CID 79631618
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
CID 79630736
3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872462

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole?
The IUPAC name of 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole (CID 114458309) is 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole?
The canonical SMILES for 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole is Fc1cc2[nH]c(CC3CCCCCC3)nc2cc1Br.
What is the InChIKey of 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole?
The InChIKey is VAZUKYXFYVPNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrFN2/c16-11-8-13-14(9-12(11)17)19-15(18-13)7-10-5-3-1-2-4-6-10/h8-10H,1-7H2,(H,18,19).
What are the key properties of 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole?
5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole has a molecular weight of 325.23 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cycloheptylmethyl)-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 114458309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).