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

C10H15FN2 — CID 116626639

IUPAC1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCF)CCCC2
InChIInChI=1S/C10H15FN2/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-7H2,1H3
InChIKeyBYADPJASRYISNK-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.04
Rot. Bonds2

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

1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (PubChem CID 116626639) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
PubChem CID116626639
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
SMILESCc1nc2c(n1CCF)CCCC2
InChIInChI=1S/C10H15FN2/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-7H2,1H3
InChIKeyBYADPJASRYISNK-UHFFFAOYSA-N
XLogP2.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hydroxy-2-methyl-1,5,6,7-tetrahydro-benzoimidazol-4-one oxime
CID 5411902
2-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole
CID 13248792
2-Ethyl-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9920468
3-Ethyl-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 9942237
1-Methyl-4,5,6,7-tetrahydro-1H-benzimidazole
CID 10866391
3-(4,5,6,7-tetrahydro-1H-1,3-benzodiazol-1-yl)propan-1-amine
CID 20515389
1-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazole-2-carbaldehyde
CID 83383303
1-methyl-2-(pyrrolidin-2-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 86767570
2-methyl-1-(pyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-1,3-benzodiazole dihydrochloride
CID 86811707
1,8,11-Triazatricyclo(7.4.0.0,2,7)trideca-2(7),8-diene hydrochloride
CID 137951779
1-methyl-4,5,6,7-tetrahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CID 137965731
4-Hydroxyimino-2-methyl-4,5,6,7-tetrahydro-1h-benzimidazol-1-ol
CID 653357

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The IUPAC name of 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole (CID 116626639) is 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole.
What is the SMILES notation for 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The canonical SMILES for 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is Cc1nc2c(n1CCF)CCCC2.
What is the InChIKey of 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
The InChIKey is BYADPJASRYISNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8-12-9-4-2-3-5-10(9)13(8)7-6-11/h2-7H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole?
1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole has a molecular weight of 182.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole is sourced from PubChem (CID 116626639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).