1-butyl-5-fluorobenzimidazole

C11H13FN2 — CID 134239298

IUPAC1-butyl-5-fluorobenzimidazole
SMILESCCCCn1cnc2cc(F)ccc21
InChIInChI=1S/C11H13FN2/c1-2-3-6-14-8-13-10-7-9(12)4-5-11(10)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyBBVQVMMMKQOTNK-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.98
Rot. Bonds3

About 1-butyl-5-fluorobenzimidazole

1-butyl-5-fluorobenzimidazole (PubChem CID 134239298) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 1-butyl-5-fluorobenzimidazole.

Molecular Properties

Compound Name1-butyl-5-fluorobenzimidazole
PubChem CID134239298
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name1-butyl-5-fluorobenzimidazole
SMILESCCCCn1cnc2cc(F)ccc21
InChIInChI=1S/C11H13FN2/c1-2-3-6-14-8-13-10-7-9(12)4-5-11(10)14/h4-5,7-8H,2-3,6H2,1H3
InChIKeyBBVQVMMMKQOTNK-UHFFFAOYSA-N
XLogP2.98
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-fluorobenzimidazole?
The IUPAC name of 1-butyl-5-fluorobenzimidazole (CID 134239298) is 1-butyl-5-fluorobenzimidazole.
What is the SMILES notation for 1-butyl-5-fluorobenzimidazole?
The canonical SMILES for 1-butyl-5-fluorobenzimidazole is CCCCn1cnc2cc(F)ccc21.
What is the InChIKey of 1-butyl-5-fluorobenzimidazole?
The InChIKey is BBVQVMMMKQOTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-2-3-6-14-8-13-10-7-9(12)4-5-11(10)14/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of 1-butyl-5-fluorobenzimidazole?
1-butyl-5-fluorobenzimidazole has a molecular weight of 192.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-fluorobenzimidazole is sourced from PubChem (CID 134239298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).