5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate

C17H20Cl2N4O3 — CID 6736639

IUPAC5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate
SMILESO=C(Cn1cnc(Cl)c1Cl)NNC(=O)OCCCCCc1ccccc1
InChIInChI=1S/C17H20Cl2N4O3/c18-15-16(19)23(12-20-15)11-14(24)21-22-17(25)26-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,21,24)(H,22,25)
InChIKeyZLWLPPNTKCNMAW-UHFFFAOYSA-N
MW399.28 g/mol
LogP3.36
Rot. Bonds8

About 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate

5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate (PubChem CID 6736639) has the molecular formula C17H20Cl2N4O3 and a molecular weight of 399.28 g/mol. Its IUPAC name is 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate.

Molecular Properties

Compound Name5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate
PubChem CID6736639
Molecular FormulaC17H20Cl2N4O3
Molecular Weight399.28 g/mol
Exact Mass398.09
IUPAC Name5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate
SMILESO=C(Cn1cnc(Cl)c1Cl)NNC(=O)OCCCCCc1ccccc1
InChIInChI=1S/C17H20Cl2N4O3/c18-15-16(19)23(12-20-15)11-14(24)21-22-17(25)26-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,21,24)(H,22,25)
InChIKeyZLWLPPNTKCNMAW-UHFFFAOYSA-N
XLogP3.36
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)ethyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate
CID 6733411
5-phenylpentyl N-[(4-chlorophenyl)methyl]carbamate
CID 6711074
2-(4,5-dichloroimidazol-1-yl)acetohydrazide
CID 2778465
5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate
CID 6735143
8-phenyloctyl carbamate
CID 67180735
4-phenylbutyl N-(2,2-diphenylacetyl)carbamate
CID 54427908
benzyl N-[[2-(2-carbamoylimidazol-1-yl)acetyl]amino]carbamate
CID 129117305
2-phenylethyl N-(4-phenylbutyl)carbamate
CID 23058488
1-O-(8-chlorooctyl) 5-O-(3-phenylpropyl) pentanedioate
CID 91710180
decyl N-(4-phenylbutyl)carbamate
CID 101211373
methyl 2-(4,5-dichloroimidazol-1-yl)acetate
CID 45491733
butyl N-(5-phenylpentyl)carbamate
CID 69404409

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate?
The IUPAC name of 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate (CID 6736639) is 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate.
What is the SMILES notation for 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate?
The canonical SMILES for 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate is O=C(Cn1cnc(Cl)c1Cl)NNC(=O)OCCCCCc1ccccc1.
What is the InChIKey of 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate?
The InChIKey is ZLWLPPNTKCNMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O3/c18-15-16(19)23(12-20-15)11-14(24)21-22-17(25)26-10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,21,24)(H,22,25).
What are the key properties of 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate?
5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate has a molecular weight of 399.28 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentyl N-[[2-(4,5-dichloroimidazol-1-yl)acetyl]amino]carbamate is sourced from PubChem (CID 6736639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).