N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine

C13H16ClN3 — CID 102627058

IUPACN-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine
SMILESClCC1(Nc2cccc3nccn23)CCCC1
InChIInChI=1S/C13H16ClN3/c14-10-13(6-1-2-7-13)16-12-5-3-4-11-15-8-9-17(11)12/h3-5,8-9,16H,1-2,6-7,10H2
InChIKeyLXSSHHMTCTTYAM-UHFFFAOYSA-N
MW249.75 g/mol
LogP3.30
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine

N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine (PubChem CID 102627058) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine
PubChem CID102627058
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine
SMILESClCC1(Nc2cccc3nccn23)CCCC1
InChIInChI=1S/C13H16ClN3/c14-10-13(6-1-2-7-13)16-12-5-3-4-11-15-8-9-17(11)12/h3-5,8-9,16H,1-2,6-7,10H2
InChIKeyLXSSHHMTCTTYAM-UHFFFAOYSA-N
XLogP3.30
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine (CID 102627058) is N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine is ClCC1(Nc2cccc3nccn23)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine?
The InChIKey is LXSSHHMTCTTYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c14-10-13(6-1-2-7-13)16-12-5-3-4-11-15-8-9-17(11)12/h3-5,8-9,16H,1-2,6-7,10H2.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine?
N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine has a molecular weight of 249.75 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]imidazo[1,2-a]pyridin-5-amine is sourced from PubChem (CID 102627058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).