2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole

C13H13FN2 — CID 16744258

IUPAC2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESFc1ccc(-c2nc3c([nH]2)CCCC3)cc1
InChIInChI=1S/C13H13FN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h5-8H,1-4H2,(H,15,16)
InChIKeyFAYREWYXZCGMFX-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.09
Rot. Bonds1

About 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 16744258) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID16744258
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESFc1ccc(-c2nc3c([nH]2)CCCC3)cc1
InChIInChI=1S/C13H13FN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h5-8H,1-4H2,(H,15,16)
InChIKeyFAYREWYXZCGMFX-UHFFFAOYSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-1,4,5,6-tetrahydrocyclopenta[d]imidazole
CID 141264099
5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 136742884
[5-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)thiophen-2-yl]methanamine
CID 103386678
2-(3-methylimidazol-4-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 103512416
2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740
2-(4-fluoro-3-methylphenyl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478763
1,4,5,6,7,8-hexahydrocyclohepta[d]imidazol-2-amine
CID 66201526
[4-(1,4,5,6-tetrahydropyrrolo[3,4-d]imidazol-2-yl)phenyl]methanamine
CID 83949428
2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 83949417
2-pyridin-4-yl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975277
2-(4-chlorophenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477436
2-[4-(1-pyrrolidin-1-ylethyl)phenyl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 72919818

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 16744258) is 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole is Fc1ccc(-c2nc3c([nH]2)CCCC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is FAYREWYXZCGMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h5-8H,1-4H2,(H,15,16).
What are the key properties of 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 216.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 16744258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).