5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide

C13H20ClN3O — CID 43701618

IUPAC5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide
SMILESO=C(CCCCCl)NC1CCCC1n1ccnc1
InChIInChI=1S/C13H20ClN3O/c14-7-2-1-6-13(18)16-11-4-3-5-12(11)17-9-8-15-10-17/h8-12H,1-7H2,(H,16,18)
InChIKeyCPTBBGKUMNGWMC-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.50
Rot. Bonds6

About 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide

5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide (PubChem CID 43701618) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide
PubChem CID43701618
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide
SMILESO=C(CCCCCl)NC1CCCC1n1ccnc1
InChIInChI=1S/C13H20ClN3O/c14-7-2-1-6-13(18)16-11-4-3-5-12(11)17-9-8-15-10-17/h8-12H,1-7H2,(H,16,18)
InChIKeyCPTBBGKUMNGWMC-UHFFFAOYSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-imidazol-1-ylcyclopentyl)-4-(propan-2-ylamino)butanamide
CID 60851167
2-amino-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 43713486
N-(2-imidazol-1-ylcyclopentyl)-2-(methylamino)acetamide
CID 43713522
2-[4-(aminomethyl)triazol-1-yl]-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 115459210
2-(2,5-difluorophenoxy)-N-(2-imidazol-1-ylcyclopentyl)acetamide
CID 56781350
5-chloro-N-(2-imidazol-1-ylcyclopentyl)furan-2-carboxamide
CID 103617988
2-(aminomethyl)-N-(2-imidazol-1-ylcyclopentyl)-3-methylbutanamide
CID 65229653
N-[2-[(2-imidazol-1-ylcyclopentyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 60512615
N-(2-imidazol-1-ylcyclopentyl)-3-methylpyrrolidine-3-carboxamide
CID 63140426
2-amino-N-(2-imidazol-1-ylcyclopentyl)-2-methylpentanamide
CID 60847019
2-(4-fluorophenyl)-N-[(1R,2R,3R)-2-hydroxy-3-imidazol-1-ylcyclohexyl]acetamide
CID 110127757
2-bromo-N-(2-imidazol-1-ylcyclopentyl)pyridine-4-carboxamide
CID 103755463

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide?
The IUPAC name of 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide (CID 43701618) is 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide is O=C(CCCCCl)NC1CCCC1n1ccnc1.
What is the InChIKey of 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide?
The InChIKey is CPTBBGKUMNGWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c14-7-2-1-6-13(18)16-11-4-3-5-12(11)17-9-8-15-10-17/h8-12H,1-7H2,(H,16,18).
What are the key properties of 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide?
5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide has a molecular weight of 269.78 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-imidazol-1-ylcyclopentyl)pentanamide is sourced from PubChem (CID 43701618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).