1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C20H28N4O — CID 95315384

IUPAC1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nc2ccccc2n1C
InChIInChI=1S/C20H28N4O/c1-3-20(25)24-13-7-11-18(24)17-10-6-12-23(17)14-19-21-15-8-4-5-9-16(15)22(19)2/h4-5,8-9,17-18H,3,6-7,10-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyUYEGCUMFTSNHRI-QZTJIDSGSA-N
MW340.47 g/mol
LogP2.94
Rot. Bonds4

About 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 95315384) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID95315384
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nc2ccccc2n1C
InChIInChI=1S/C20H28N4O/c1-3-20(25)24-13-7-11-18(24)17-10-6-12-23(17)14-19-21-15-8-4-5-9-16(15)22(19)2/h4-5,8-9,17-18H,3,6-7,10-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyUYEGCUMFTSNHRI-QZTJIDSGSA-N
XLogP2.94
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 95315384) is 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nc2ccccc2n1C.
What is the InChIKey of 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is UYEGCUMFTSNHRI-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H28N4O/c1-3-20(25)24-13-7-11-18(24)17-10-6-12-23(17)14-19-21-15-8-4-5-9-16(15)22(19)2/h4-5,8-9,17-18H,3,6-7,10-14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 340.47 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 95315384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).