3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one

C19H21N5O — CID 124957910

IUPAC3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1nccc([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1
InChIInChI=1S/C19H21N5O/c1-14-20-10-8-16(22-14)18-7-4-11-24(18)19(25)9-12-23-13-21-15-5-2-3-6-17(15)23/h2-3,5-6,8,10,13,18H,4,7,9,11-12H2,1H3/t18-/m1/s1
InChIKeyGCICMUQJXKJHKF-GOSISDBHSA-N
MW335.41 g/mol
LogP2.89
Rot. Bonds4

About 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one

3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 124957910) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID124957910
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1nccc([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1
InChIInChI=1S/C19H21N5O/c1-14-20-10-8-16(22-14)18-7-4-11-24(18)19(25)9-12-23-13-21-15-5-2-3-6-17(15)23/h2-3,5-6,8,10,13,18H,4,7,9,11-12H2,1H3/t18-/m1/s1
InChIKeyGCICMUQJXKJHKF-GOSISDBHSA-N
XLogP2.89
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzimidazol-1-yl)-1-[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
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3-(2-methylbenzimidazol-1-yl)-1-[(2S)-2-pyridin-2-ylpiperidin-1-yl]propan-1-one
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3-[3-oxo-3-(2-phenylpyrrolidin-1-yl)propyl]quinazolin-4-one
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3-[3-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 42893868
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
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3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
3-(benzimidazol-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one (CID 124957910) is 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one is Cc1nccc([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1.
What is the InChIKey of 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is GCICMUQJXKJHKF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N5O/c1-14-20-10-8-16(22-14)18-7-4-11-24(18)19(25)9-12-23-13-21-15-5-2-3-6-17(15)23/h2-3,5-6,8,10,13,18H,4,7,9,11-12H2,1H3/t18-/m1/s1.
What are the key properties of 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one?
3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 335.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-1-[(2R)-2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 124957910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).