4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide

C20H21FN4O2 — CID 118725754

IUPAC4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(F)cc1O
InChIInChI=1S/C20H21FN4O2/c21-14-7-8-15(18(26)13-14)19(27)23-20-22-16-5-1-2-6-17(16)25(20)12-11-24-9-3-4-10-24/h1-2,5-8,13,26H,3-4,9-12H2,(H,22,23,27)
InChIKeyCKYOSWZQMHVEIY-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.23
Rot. Bonds5

About 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide

4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide (PubChem CID 118725754) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
PubChem CID118725754
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide
SMILESO=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(F)cc1O
InChIInChI=1S/C20H21FN4O2/c21-14-7-8-15(18(26)13-14)19(27)23-20-22-16-5-1-2-6-17(16)25(20)12-11-24-9-3-4-10-24/h1-2,5-8,13,26H,3-4,9-12H2,(H,22,23,27)
InChIKeyCKYOSWZQMHVEIY-UHFFFAOYSA-N
XLogP3.23
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzamide, N-1H-benzimidazol-2-yl-2-hydroxy-
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N-[1-(2-Diethylamino-ethyl)-1H-benzoimidazol-2-yl]-2-hydroxy-benzamide
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1-ethyl-N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-methylbenzimidazole-5-carboxamide
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1-ethyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2-methylbenzimidazole-5-carboxamide
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2-{[(1-butyl-1H-benzimidazol-2-yl)amino]methyl}phenol
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5-bromo-2-hydroxy-N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
CID 73349842
5-Hydroxy-8,15,17,25,29-pentazahexacyclo[23.3.1.12,6.119,23.08,16.09,14]hentriaconta-1(29),2(31),3,5,9,11,13,15,19,21,23(30),27-dodecaene-18,26-dione
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1-(2-Aminoethyl)-2-(4-hydroxyphenyl)benzimidazole-5-carboxamide
CID 137028350
2-[[(1-Propan-2-ylbenzimidazol-2-yl)amino]methyl]phenol
CID 709553
2-methoxy-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide (CID 118725754) is 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide is O=C(Nc1nc2ccccc2n1CCN1CCCC1)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
The InChIKey is CKYOSWZQMHVEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-14-7-8-15(18(26)13-14)19(27)23-20-22-16-5-1-2-6-17(16)25(20)12-11-24-9-3-4-10-24/h1-2,5-8,13,26H,3-4,9-12H2,(H,22,23,27).
What are the key properties of 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide?
4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide has a molecular weight of 368.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 118725754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).