(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide

C19H23N5O2 — CID 56710024

IUPAC(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(-c2nc3ccccc3n2C)o1
InChIInChI=1S/C19H23N5O2/c1-21-19(25)16-9-12(20)10-24(16)11-13-7-8-17(26-13)18-22-14-5-3-4-6-15(14)23(18)2/h3-8,12,16H,9-11,20H2,1-2H3,(H,21,25)/t12-,16+/m1/s1
InChIKeyILMZSOCUSBMUBT-WBMJQRKESA-N
MW353.43 g/mol
LogP1.48
Rot. Bonds4

About (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56710024) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID56710024
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(-c2nc3ccccc3n2C)o1
InChIInChI=1S/C19H23N5O2/c1-21-19(25)16-9-12(20)10-24(16)11-13-7-8-17(26-13)18-22-14-5-3-4-6-15(14)23(18)2/h3-8,12,16H,9-11,20H2,1-2H3,(H,21,25)/t12-,16+/m1/s1
InChIKeyILMZSOCUSBMUBT-WBMJQRKESA-N
XLogP1.48
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2-[5-(piperidin-1-ylmethyl)furan-2-yl]benzimidazole
CID 665081
3-amino-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 56719056
(2S,4R)-4-amino-N-methyl-1-(2-phenylmethoxyethyl)pyrrolidine-2-carboxamide
CID 56719615
1-[1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]piperidin-4-yl]pyrrolidin-2-one
CID 56868374
(2S,4R)-4-amino-1-[(5-cyclohexylthiophen-2-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70737374
(2S,4S)-4-amino-1-benzyl-N-ethylpyrrolidine-2-carboxamide
CID 118759074
(2S,4R)-4-amino-1-[(5-methoxy-2H-indazol-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 70765873
2-(cyclopropylmethylamino)-N-[4-(1-methylbenzimidazol-2-yl)phenyl]acetamide
CID 119822806
(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide
CID 56719092
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[4-(1-methylbenzimidazol-2-yl)triazol-1-yl]butanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 146151769
3-amino-N-[4-(1-methylbenzimidazol-2-yl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119822799
(2S,4R)-4-amino-1-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 56708773

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide (CID 56710024) is (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide is CNC(=O)[C@@H]1C[C@@H](N)CN1Cc1ccc(-c2nc3ccccc3n2C)o1.
What is the InChIKey of (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is ILMZSOCUSBMUBT-WBMJQRKESA-N. The full InChI is InChI=1S/C19H23N5O2/c1-21-19(25)16-9-12(20)10-24(16)11-13-7-8-17(26-13)18-22-14-5-3-4-6-15(14)23(18)2/h3-8,12,16H,9-11,20H2,1-2H3,(H,21,25)/t12-,16+/m1/s1.
What are the key properties of (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-amino-N-methyl-1-[[5-(1-methylbenzimidazol-2-yl)furan-2-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56710024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).