N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

C14H16ClN5 — CID 78960476

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H16ClN5/c1-19-7-6-17-13(19)4-5-16-8-12-10-20-9-11(15)2-3-14(20)18-12/h2-3,6-7,9-10,16H,4-5,8H2,1H3
InChIKeyLJKQSGNOTIUMEJ-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.05
Rot. Bonds5

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 78960476) has the molecular formula C14H16ClN5 and a molecular weight of 289.77 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID78960476
Molecular FormulaC14H16ClN5
Molecular Weight289.77 g/mol
Exact Mass289.11
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CCNCc1cn2cc(Cl)ccc2n1
InChIInChI=1S/C14H16ClN5/c1-19-7-6-17-13(19)4-5-16-8-12-10-20-9-11(15)2-3-14(20)18-12/h2-3,6-7,9-10,16H,4-5,8H2,1H3
InChIKeyLJKQSGNOTIUMEJ-UHFFFAOYSA-N
XLogP2.05
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chloro-4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 81146312
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylsulfinylethanamine
CID 115632465
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-methylpropanamide
CID 78998419
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]propanamide
CID 115345098
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 78913138
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethylsulfinylethanamine
CID 115632290
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]but-2-yn-1-amine
CID 115866233
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]ethylurea
CID 83112157
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopropylpropan-1-amine
CID 115639536
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-propoxypropan-1-amine
CID 82943395
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102905572
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5,5,5-trifluoropentan-1-amine
CID 115491273

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine (CID 78960476) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CCNCc1cn2cc(Cl)ccc2n1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is LJKQSGNOTIUMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5/c1-19-7-6-17-13(19)4-5-16-8-12-10-20-9-11(15)2-3-14(20)18-12/h2-3,6-7,9-10,16H,4-5,8H2,1H3.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 289.77 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 78960476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).