2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C19H20FN5O — CID 95714244

IUPAC2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1)NCc1ccccn1
InChIInChI=1S/C19H20FN5O/c20-13-6-7-15-16(10-13)24-19(23-15)17-5-3-9-25(17)12-18(26)22-11-14-4-1-2-8-21-14/h1-2,4,6-8,10,17H,3,5,9,11-12H2,(H,22,26)(H,23,24)/t17-/m1/s1
InChIKeyFMYQVRSURAEWSP-QGZVFWFLSA-N
MW353.40 g/mol
LogP2.55
Rot. Bonds5

About 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95714244) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95714244
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1)NCc1ccccn1
InChIInChI=1S/C19H20FN5O/c20-13-6-7-15-16(10-13)24-19(23-15)17-5-3-9-25(17)12-18(26)22-11-14-4-1-2-8-21-14/h1-2,4,6-8,10,17H,3,5,9,11-12H2,(H,22,26)(H,23,24)/t17-/m1/s1
InChIKeyFMYQVRSURAEWSP-QGZVFWFLSA-N
XLogP2.55
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92612141
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56803059
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626153
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-(phenoxymethyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96538815
N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983523
2-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 167762189
2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626006
1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 48997075
2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 124730634
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 95714244) is 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1)NCc1ccccn1.
What is the InChIKey of 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is FMYQVRSURAEWSP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20FN5O/c20-13-6-7-15-16(10-13)24-19(23-15)17-5-3-9-25(17)12-18(26)22-11-14-4-1-2-8-21-14/h1-2,4,6-8,10,17H,3,5,9,11-12H2,(H,22,26)(H,23,24)/t17-/m1/s1.
What are the key properties of 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 353.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95714244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).