2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide

C20H23N5O — CID 57068772

IUPAC2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide
SMILESNCC(=O)N[C@H]1CN[C@H](c2nc3ccc(Cc4ccccc4)cc3[nH]2)C1
InChIInChI=1S/C20H23N5O/c21-11-19(26)23-15-10-18(22-12-15)20-24-16-7-6-14(9-17(16)25-20)8-13-4-2-1-3-5-13/h1-7,9,15,18,22H,8,10-12,21H2,(H,23,26)(H,24,25)/t15-,18+/m1/s1
InChIKeyZIAVEBWXZBXOKM-QAPCUYQASA-N
MW349.44 g/mol
LogP1.63
Rot. Bonds5

About 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide

2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 57068772) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID57068772
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide
SMILESNCC(=O)N[C@H]1CN[C@H](c2nc3ccc(Cc4ccccc4)cc3[nH]2)C1
InChIInChI=1S/C20H23N5O/c21-11-19(26)23-15-10-18(22-12-15)20-24-16-7-6-14(9-17(16)25-20)8-13-4-2-1-3-5-13/h1-7,9,15,18,22H,8,10-12,21H2,(H,23,26)(H,24,25)/t15-,18+/m1/s1
InChIKeyZIAVEBWXZBXOKM-QAPCUYQASA-N
XLogP1.63
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25166913
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Ro 90-7501
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Chitinase
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N-hydroxy-3-[2-phenethyl-1-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-5-yl]acrylamide
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3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
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2-(4'-Amidinobiphenyl-4-YL)-1H-benzimidazole-5-amidine
CID 5327049
4-((1-Methyl-5-(2-Methyl-Benzoimidazol-1-Ylmethyl)-1h-Benzoimidazol-2-Ylmethyl)-Amino)-Benzamidine
CID 445756

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide (CID 57068772) is 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide is NCC(=O)N[C@H]1CN[C@H](c2nc3ccc(Cc4ccccc4)cc3[nH]2)C1.
What is the InChIKey of 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is ZIAVEBWXZBXOKM-QAPCUYQASA-N. The full InChI is InChI=1S/C20H23N5O/c21-11-19(26)23-15-10-18(22-12-15)20-24-16-7-6-14(9-17(16)25-20)8-13-4-2-1-3-5-13/h1-7,9,15,18,22H,8,10-12,21H2,(H,23,26)(H,24,25)/t15-,18+/m1/s1.
What are the key properties of 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide?
2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3R,5S)-5-(6-benzyl-1H-benzimidazol-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 57068772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).