1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol

C19H24FN3O — CID 154753678

IUPAC1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCCC1c1nc2c([nH]1)CCCC2)c1ccccc1F
InChIInChI=1S/C19H24FN3O/c20-14-7-2-1-6-13(14)18(24)12-23-11-5-10-17(23)19-21-15-8-3-4-9-16(15)22-19/h1-2,6-7,17-18,24H,3-5,8-12H2,(H,21,22)
InChIKeyKBIDLQOIXFZHHR-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.30
Rot. Bonds4

About 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol

1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol (PubChem CID 154753678) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol
PubChem CID154753678
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol
SMILESOC(CN1CCCC1c1nc2c([nH]1)CCCC2)c1ccccc1F
InChIInChI=1S/C19H24FN3O/c20-14-7-2-1-6-13(14)18(24)12-23-11-5-10-17(23)19-21-15-8-3-4-9-16(15)22-19/h1-2,6-7,17-18,24H,3-5,8-12H2,(H,21,22)
InChIKeyKBIDLQOIXFZHHR-UHFFFAOYSA-N
XLogP3.30
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)pyrrolidin-1-yl]ethanol
CID 129477556
1-(2-fluorophenyl)-2-[(2S)-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanol
CID 146139052
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 129477859
1-(2-fluorophenyl)-2-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]ethanol
CID 110899499
(2R)-1-(2-methylpropoxy)-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-2-ol
CID 129341608
(1S)-1-(2-fluorophenyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanol
CID 100844004
2-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 129339719
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethanol
CID 124788035
N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983523
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
2-[1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128983514
1-(2,3-dihydroindol-1-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 128983493

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol?
The IUPAC name of 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol (CID 154753678) is 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol?
The canonical SMILES for 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol is OC(CN1CCCC1c1nc2c([nH]1)CCCC2)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol?
The InChIKey is KBIDLQOIXFZHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c20-14-7-2-1-6-13(14)18(24)12-23-11-5-10-17(23)19-21-15-8-3-4-9-16(15)22-19/h1-2,6-7,17-18,24H,3-5,8-12H2,(H,21,22).
What are the key properties of 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol?
1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol has a molecular weight of 329.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanol is sourced from PubChem (CID 154753678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).