2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide

C10H10ClN3O2 — CID 78595955

IUPAC2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide
SMILESO=C(CCl)NCC1C=CC2=NC(=O)NC2=C1
InChIInChI=1S/C10H10ClN3O2/c11-4-9(15)12-5-6-1-2-7-8(3-6)14-10(16)13-7/h1-3,6H,4-5H2,(H,12,15)(H,14,16)
InChIKeyZEPKDNZPNFYCDY-UHFFFAOYSA-N
MW239.66 g/mol
LogP0.58
Rot. Bonds3

About 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide

2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide (PubChem CID 78595955) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide
PubChem CID78595955
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide
SMILESO=C(CCl)NCC1C=CC2=NC(=O)NC2=C1
InChIInChI=1S/C10H10ClN3O2/c11-4-9(15)12-5-6-1-2-7-8(3-6)14-10(16)13-7/h1-3,6H,4-5H2,(H,12,15)(H,14,16)
InChIKeyZEPKDNZPNFYCDY-UHFFFAOYSA-N
XLogP0.58
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide (CID 78595955) is 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide is O=C(CCl)NCC1C=CC2=NC(=O)NC2=C1.
What is the InChIKey of 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide?
The InChIKey is ZEPKDNZPNFYCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c11-4-9(15)12-5-6-1-2-7-8(3-6)14-10(16)13-7/h1-3,6H,4-5H2,(H,12,15)(H,14,16).
What are the key properties of 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide?
2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide has a molecular weight of 239.66 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-oxo-3,5-dihydrobenzimidazol-5-yl)methyl]acetamide is sourced from PubChem (CID 78595955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).