1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole

C10H15FN2 — CID 116626451

IUPAC1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESFCCCn1cnc2c1CCCC2
InChIInChI=1S/C10H15FN2/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h8H,1-7H2
InChIKeyNEBJZOKNMSCFAK-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.12
Rot. Bonds3

About 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole

1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626451) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626451
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole
SMILESFCCCn1cnc2c1CCCC2
InChIInChI=1S/C10H15FN2/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h8H,1-7H2
InChIKeyNEBJZOKNMSCFAK-UHFFFAOYSA-N
XLogP2.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole (CID 116626451) is 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole is FCCCn1cnc2c1CCCC2.
What is the InChIKey of 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is NEBJZOKNMSCFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c11-6-3-7-13-8-12-9-4-1-2-5-10(9)13/h8H,1-7H2.
What are the key properties of 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole?
1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 182.24 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).