3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine

C15H23ClN4 — CID 81136219

IUPAC3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C15H23ClN4/c1-4-19(5-2)9-6-10-20-14(11-16)18-13-8-7-12(3)17-15(13)20/h7-8H,4-6,9-11H2,1-3H3
InChIKeyKRRKZOUCBPBQGY-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.21
Rot. Bonds7

About 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine

3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine (PubChem CID 81136219) has the molecular formula C15H23ClN4 and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
PubChem CID81136219
Molecular FormulaC15H23ClN4
Molecular Weight294.83 g/mol
Exact Mass294.16
IUPAC Name3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
SMILESCCN(CC)CCCn1c(CCl)nc2ccc(C)nc21
InChIInChI=1S/C15H23ClN4/c1-4-19(5-2)9-6-10-20-14(11-16)18-13-8-7-12(3)17-15(13)20/h7-8H,4-6,9-11H2,1-3H3
InChIKeyKRRKZOUCBPBQGY-UHFFFAOYSA-N
XLogP3.21
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.21
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

1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1,2-Dimethylbenzimidazole
CID 312693
1H-Benzimidazolium, 1,2,3-trimethyl-, iodide (1:1)
CID 199168
1-Ethyl-2-methylbenzimidazole
CID 22054
1-propyl-1H-1,3-benzodiazol-2-amine
CID 799602
2-chloro-1-methyl-1H-1,3-benzodiazole
CID 663080
1H-Benzimidazole-2-acetonitrile, 1-methyl-
CID 75953
1-(2-pyridinyl)-1H-benzimidazole
CID 852492
4-(2-Methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 6539018
(9-Methyl-9H-purin-6-yl)-phenyl-amine
CID 13439250
1-(2-Dimethylamino-ethyl)-1H-benzoimidazol-2-ylamine
CID 745066
1-methyl-2-(piperazin-1-yl)-1H-benzo[d]imidazole
CID 667551

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine?
The IUPAC name of 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine (CID 81136219) is 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine.
What is the SMILES notation for 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine?
The canonical SMILES for 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine is CCN(CC)CCCn1c(CCl)nc2ccc(C)nc21.
What is the InChIKey of 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine?
The InChIKey is KRRKZOUCBPBQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4/c1-4-19(5-2)9-6-10-20-14(11-16)18-13-8-7-12(3)17-15(13)20/h7-8H,4-6,9-11H2,1-3H3.
What are the key properties of 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine?
3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine has a molecular weight of 294.83 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine is sourced from PubChem (CID 81136219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).