N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide

C18H24N4O3 — CID 44570530

IUPACN-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide
SMILESCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O3/c1-2-6-13(11-21(25)12-23)18(24)22-10-5-9-16(22)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16,25H,2,5-6,9-11H2,1H3,(H,19,20)/t13-,16+/m1/s1
InChIKeyFKBOBGSCOIIFGD-CJNGLKHVSA-N
MW344.41 g/mol
LogP2.49
Rot. Bonds7

About N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide

N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide (PubChem CID 44570530) has the molecular formula C18H24N4O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide
PubChem CID44570530
Molecular FormulaC18H24N4O3
Molecular Weight344.41 g/mol
Exact Mass344.18
IUPAC NameN-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide
SMILESCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
InChIInChI=1S/C18H24N4O3/c1-2-6-13(11-21(25)12-23)18(24)22-10-5-9-16(22)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16,25H,2,5-6,9-11H2,1H3,(H,19,20)/t13-,16+/m1/s1
InChIKeyFKBOBGSCOIIFGD-CJNGLKHVSA-N
XLogP2.49
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide (CID 44570530) is N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide is CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide?
The InChIKey is FKBOBGSCOIIFGD-CJNGLKHVSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-2-6-13(11-21(25)12-23)18(24)22-10-5-9-16(22)17-19-14-7-3-4-8-15(14)20-17/h3-4,7-8,12-13,16,25H,2,5-6,9-11H2,1H3,(H,19,20)/t13-,16+/m1/s1.
What are the key properties of N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide?
N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide has a molecular weight of 344.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]pentyl]-N-hydroxyformamide is sourced from PubChem (CID 44570530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).