N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine

C14H21ClN4 — CID 79292538

IUPACN-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(Cl)c1nc2cnccc2n1CCN(C)C(C)C
InChIInChI=1S/C14H21ClN4/c1-10(2)18(4)7-8-19-13-5-6-16-9-12(13)17-14(19)11(3)15/h5-6,9-11H,7-8H2,1-4H3
InChIKeyIHUDXCPOFXAYGB-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.07
Rot. Bonds5

About N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine

N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine (PubChem CID 79292538) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
PubChem CID79292538
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
SMILESCC(Cl)c1nc2cnccc2n1CCN(C)C(C)C
InChIInChI=1S/C14H21ClN4/c1-10(2)18(4)7-8-19-13-5-6-16-9-12(13)17-14(19)11(3)15/h5-6,9-11H,7-8H2,1-4H3
InChIKeyIHUDXCPOFXAYGB-UHFFFAOYSA-N
XLogP3.07
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087
2-(1-chloroethyl)-1-[2-(2-fluorophenyl)ethyl]imidazo[4,5-c]pyridine
CID 79274938
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
2-(1-chloroethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazo[4,5-c]pyridine
CID 106036565
2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 79274286
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
CID 79292930
5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 79292805
2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292047
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-ethylacetamide
CID 79292094
2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375889

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine?
The IUPAC name of N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine (CID 79292538) is N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine is CC(Cl)c1nc2cnccc2n1CCN(C)C(C)C.
What is the InChIKey of N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine?
The InChIKey is IHUDXCPOFXAYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4/c1-10(2)18(4)7-8-19-13-5-6-16-9-12(13)17-14(19)11(3)15/h5-6,9-11H,7-8H2,1-4H3.
What are the key properties of N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine?
N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine has a molecular weight of 280.80 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine is sourced from PubChem (CID 79292538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).