(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

C19H26N4O — CID 129427686

IUPAC(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)n1cnc2ccccc21
InChIInChI=1S/C19H26N4O/c1-14(23-13-20-15-7-3-4-8-16(15)23)19(24)22-12-6-10-18(22)17-9-5-11-21(17)2/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3/t14-,17-,18-/m1/s1
InChIKeyFNSITTFYNBTLQC-ZTFGCOKTSA-N
MW326.44 g/mol
LogP2.68
Rot. Bonds3

About (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one

(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 129427686) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID129427686
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)n1cnc2ccccc21
InChIInChI=1S/C19H26N4O/c1-14(23-13-20-15-7-3-4-8-16(15)23)19(24)22-12-6-10-18(22)17-9-5-11-21(17)2/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3/t14-,17-,18-/m1/s1
InChIKeyFNSITTFYNBTLQC-ZTFGCOKTSA-N
XLogP2.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 129427686) is (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)n1cnc2ccccc21.
What is the InChIKey of (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is FNSITTFYNBTLQC-ZTFGCOKTSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(23-13-20-15-7-3-4-8-16(15)23)19(24)22-12-6-10-18(22)17-9-5-11-21(17)2/h3-4,7-8,13-14,17-18H,5-6,9-12H2,1-2H3/t14-,17-,18-/m1/s1.
What are the key properties of (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one?
(2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzimidazol-1-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 129427686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).