(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide

C15H20N4O2 — CID 128979751

IUPAC(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc3c(c2)ncn3C)C1
InChIInChI=1S/C15H20N4O2/c1-18-9-17-12-5-10(3-4-13(12)18)7-19-8-11(21-2)6-14(19)15(16)20/h3-5,9,11,14H,6-8H2,1-2H3,(H2,16,20)/t11-,14-/m0/s1
InChIKeyGESNGVLDXTZJFJ-FZMZJTMJSA-N
MW288.35 g/mol
LogP0.65
Rot. Bonds4

About (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide

(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 128979751) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID128979751
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc3c(c2)ncn3C)C1
InChIInChI=1S/C15H20N4O2/c1-18-9-17-12-5-10(3-4-13(12)18)7-19-8-11(21-2)6-14(19)15(16)20/h3-5,9,11,14H,6-8H2,1-2H3,(H2,16,20)/t11-,14-/m0/s1
InChIKeyGESNGVLDXTZJFJ-FZMZJTMJSA-N
XLogP0.65
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide (CID 128979751) is (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(Cc2ccc3c(c2)ncn3C)C1.
What is the InChIKey of (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is GESNGVLDXTZJFJ-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-18-9-17-12-5-10(3-4-13(12)18)7-19-8-11(21-2)6-14(19)15(16)20/h3-5,9,11,14H,6-8H2,1-2H3,(H2,16,20)/t11-,14-/m0/s1.
What are the key properties of (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide?
(2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-methoxy-1-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 128979751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).