1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole

C11H17FN2 — CID 116626721

IUPAC1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCCF)CCCC2
InChIInChI=1S/C11H17FN2/c1-9-13-10-5-2-3-6-11(10)14(9)8-4-7-12/h2-8H2,1H3
InChIKeyOLDVRJYGGTVDTB-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.43
Rot. Bonds3

About 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole

1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626721) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626721
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCCF)CCCC2
InChIInChI=1S/C11H17FN2/c1-9-13-10-5-2-3-6-11(10)14(9)8-4-7-12/h2-8H2,1H3
InChIKeyOLDVRJYGGTVDTB-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626721) is 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1CCCF)CCCC2.
What is the InChIKey of 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is OLDVRJYGGTVDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-9-13-10-5-2-3-6-11(10)14(9)8-4-7-12/h2-8H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 196.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).