1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole

C14H17FN2 — CID 58459395

IUPAC1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccc(F)cc2n1CC1CC1
InChIInChI=1S/C14H17FN2/c1-9(2)14-16-12-6-5-11(15)7-13(12)17(14)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyFYGFIGFHULBADW-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.71
Rot. Bonds3

About 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole

1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole (PubChem CID 58459395) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole
PubChem CID58459395
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole
SMILESCC(C)c1nc2ccc(F)cc2n1CC1CC1
InChIInChI=1S/C14H17FN2/c1-9(2)14-16-12-6-5-11(15)7-13(12)17(14)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyFYGFIGFHULBADW-UHFFFAOYSA-N
XLogP3.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole?
The IUPAC name of 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole (CID 58459395) is 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole?
The canonical SMILES for 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole is CC(C)c1nc2ccc(F)cc2n1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole?
The InChIKey is FYGFIGFHULBADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-9(2)14-16-12-6-5-11(15)7-13(12)17(14)8-10-3-4-10/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole?
1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole has a molecular weight of 232.30 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole is sourced from PubChem (CID 58459395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).