2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole

C16H17ClFN5 — CID 124752580

IUPAC2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc([C@H]3CCCN3CCn3cc(Cl)cn3)[nH]c2c1
InChIInChI=1S/C16H17ClFN5/c17-11-9-19-23(10-11)7-6-22-5-1-2-15(22)16-20-13-4-3-12(18)8-14(13)21-16/h3-4,8-10,15H,1-2,5-7H2,(H,20,21)/t15-/m1/s1
InChIKeyJYBFOACAAXCRDS-OAHLLOKOSA-N
MW333.80 g/mol
LogP3.39
Rot. Bonds4

About 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole

2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole (PubChem CID 124752580) has the molecular formula C16H17ClFN5 and a molecular weight of 333.80 g/mol. Its IUPAC name is 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
PubChem CID124752580
Molecular FormulaC16H17ClFN5
Molecular Weight333.80 g/mol
Exact Mass333.12
IUPAC Name2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc([C@H]3CCCN3CCn3cc(Cl)cn3)[nH]c2c1
InChIInChI=1S/C16H17ClFN5/c17-11-9-19-23(10-11)7-6-22-5-1-2-15(22)16-20-13-4-3-12(18)8-14(13)21-16/h3-4,8-10,15H,1-2,5-7H2,(H,20,21)/t15-/m1/s1
InChIKeyJYBFOACAAXCRDS-OAHLLOKOSA-N
XLogP3.39
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
2-(3-chlorophenyl)-4-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45208727
2-[4-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 77082878
3-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 124751878
3-[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-pyridin-3-ylpropanamide
CID 91831128
2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95714244
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 95709426
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 95718553
2-[[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methoxy-1H-pyridin-4-one
CID 95712652
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-methyl-1-propylpyrazol-4-yl)methanone
CID 95872746
1-[3-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 95868023

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole (CID 124752580) is 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole is Fc1ccc2nc([C@H]3CCCN3CCn3cc(Cl)cn3)[nH]c2c1.
What is the InChIKey of 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole?
The InChIKey is JYBFOACAAXCRDS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17ClFN5/c17-11-9-19-23(10-11)7-6-22-5-1-2-15(22)16-20-13-4-3-12(18)8-14(13)21-16/h3-4,8-10,15H,1-2,5-7H2,(H,20,21)/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole?
2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole has a molecular weight of 333.80 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 124752580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).