5-fluoro-6-propan-2-yl-2H-benzimidazole

C10H11FN2 — CID 118410732

IUPAC5-fluoro-6-propan-2-yl-2H-benzimidazole
SMILESCC(C)c1cc2c(cc1F)=NCN=2
InChIInChI=1S/C10H11FN2/c1-6(2)7-3-9-10(4-8(7)11)13-5-12-9/h3-4,6H,5H2,1-2H3
InChIKeyFTHGBBCFFGJNCW-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.16
Rot. Bonds1

About 5-fluoro-6-propan-2-yl-2H-benzimidazole

5-fluoro-6-propan-2-yl-2H-benzimidazole (PubChem CID 118410732) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 5-fluoro-6-propan-2-yl-2H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-6-propan-2-yl-2H-benzimidazole
PubChem CID118410732
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name5-fluoro-6-propan-2-yl-2H-benzimidazole
SMILESCC(C)c1cc2c(cc1F)=NCN=2
InChIInChI=1S/C10H11FN2/c1-6(2)7-3-9-10(4-8(7)11)13-5-12-9/h3-4,6H,5H2,1-2H3
InChIKeyFTHGBBCFFGJNCW-UHFFFAOYSA-N
XLogP1.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-Difluoro-2,2-dimethyl-2h-benzo[d]imidazole
CID 129851573
5-fluoro-4,7-dimethyl-2H-benzimidazole
CID 130209575
(6E)-3,5-difluoro-N-methyl-6-(2-methylprop-2-enylidene)cyclohexa-2,4-dien-1-imine
CID 142275946
6-fluoro-4-methyl-2H-benzimidazole
CID 161965286
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929
2-(2-Fluoropropan-2-yl)-2-methylbenzimidazole
CID 173118008
2-(Fluoromethyl)-2-methylbenzimidazole
CID 173118032
7-fluoro-2,5,6-trimethyl-3aH-indazol-2-ium
CID 177040376
5-fluoro-3-methyl-2H-indole
CID 95046937
4-fluoro-5-propan-2-yl-2H-indole
CID 159358624
7-fluoro-2,5-dimethyl-3aH-indazol-2-ium
CID 177040391
4-Ethenyl-2,2-dimethylbenzimidazole
CID 20537676

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-propan-2-yl-2H-benzimidazole?
The IUPAC name of 5-fluoro-6-propan-2-yl-2H-benzimidazole (CID 118410732) is 5-fluoro-6-propan-2-yl-2H-benzimidazole.
What is the SMILES notation for 5-fluoro-6-propan-2-yl-2H-benzimidazole?
The canonical SMILES for 5-fluoro-6-propan-2-yl-2H-benzimidazole is CC(C)c1cc2c(cc1F)=NCN=2.
What is the InChIKey of 5-fluoro-6-propan-2-yl-2H-benzimidazole?
The InChIKey is FTHGBBCFFGJNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-6(2)7-3-9-10(4-8(7)11)13-5-12-9/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-fluoro-6-propan-2-yl-2H-benzimidazole?
5-fluoro-6-propan-2-yl-2H-benzimidazole has a molecular weight of 178.21 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-propan-2-yl-2H-benzimidazole is sourced from PubChem (CID 118410732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).