4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole

C15H18F2N2 — CID 145449351

IUPAC4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(CF)nc2c(F)cc(C3(C)CC3)cc21
InChIInChI=1S/C15H18F2N2/c1-9(2)19-12-7-10(15(3)4-5-15)6-11(17)14(12)18-13(19)8-16/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNPBFNIWWJMDPHT-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.28
Rot. Bonds3

About 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole

4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole (PubChem CID 145449351) has the molecular formula C15H18F2N2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole
PubChem CID145449351
Molecular FormulaC15H18F2N2
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(CF)nc2c(F)cc(C3(C)CC3)cc21
InChIInChI=1S/C15H18F2N2/c1-9(2)19-12-7-10(15(3)4-5-15)6-11(17)14(12)18-13(19)8-16/h6-7,9H,4-5,8H2,1-3H3
InChIKeyNPBFNIWWJMDPHT-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole (CID 145449351) is 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole is CC(C)n1c(CF)nc2c(F)cc(C3(C)CC3)cc21.
What is the InChIKey of 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole?
The InChIKey is NPBFNIWWJMDPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2/c1-9(2)19-12-7-10(15(3)4-5-15)6-11(17)14(12)18-13(19)8-16/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole?
4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole has a molecular weight of 264.32 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(fluoromethyl)-6-(1-methylcyclopropyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 145449351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).