1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone

C20H20ClN3O — CID 40773764

IUPAC1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O/c1-14(25)23-12-6-11-19(23)20-22-17-9-4-5-10-18(17)24(20)13-15-7-2-3-8-16(15)21/h2-5,7-10,19H,6,11-13H2,1H3/t19-/m1/s1
InChIKeyIRLHZICXNVFDOO-LJQANCHMSA-N
MW353.85 g/mol
LogP4.42
Rot. Bonds3

About 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 40773764) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID40773764
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O/c1-14(25)23-12-6-11-19(23)20-22-17-9-4-5-10-18(17)24(20)13-15-7-2-3-8-16(15)21/h2-5,7-10,19H,6,11-13H2,1H3/t19-/m1/s1
InChIKeyIRLHZICXNVFDOO-LJQANCHMSA-N
XLogP4.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42108786
1-[(2S)-2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone (CID 40773764) is 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is IRLHZICXNVFDOO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14(25)23-12-6-11-19(23)20-22-17-9-4-5-10-18(17)24(20)13-15-7-2-3-8-16(15)21/h2-5,7-10,19H,6,11-13H2,1H3/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 353.85 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 40773764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).