2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine

C21H16ClN3O2 — CID 42738374

IUPAC2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc2nc(-c3ccc4c(c3)OCO4)c(NCc3ccccc3)n2c1
InChIInChI=1S/C21H16ClN3O2/c22-16-7-9-19-24-20(15-6-8-17-18(10-15)27-13-26-17)21(25(19)12-16)23-11-14-4-2-1-3-5-14/h1-10,12,23H,11,13H2
InChIKeyHGBRPEFRTMJLRS-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.00
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine

2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine (PubChem CID 42738374) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
PubChem CID42738374
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc2nc(-c3ccc4c(c3)OCO4)c(NCc3ccccc3)n2c1
InChIInChI=1S/C21H16ClN3O2/c22-16-7-9-19-24-20(15-6-8-17-18(10-15)27-13-26-17)21(25(19)12-16)23-11-14-4-2-1-3-5-14/h1-10,12,23H,11,13H2
InChIKeyHGBRPEFRTMJLRS-UHFFFAOYSA-N
XLogP5.00
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-chloro-3-iodoimidazo[1,2-a]pyridine
CID 75412206
N-benzyl-6-chloro-2-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 5212079
4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 102498211
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39134123
N-(1,3-benzodioxol-5-yl)-6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 122174795
2-[[2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carbonyl]amino]propanoic acid
CID 23996010
2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 809308
2-[2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-a]pyridin-3-yl]propanenitrile
CID 82030074
6-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619145
N-[[3-(aminomethyl)phenyl]methyl]-2-(1,3-benzodioxol-5-yl)-3-(benzylamino)imidazo[1,2-a]pyridine-8-carboxamide
CID 23963571
N-benzyl-2-[4-(3-chlorophenyl)phenyl]imidazo[1,2-a]pyridin-3-amine
CID 42601069
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine (CID 42738374) is 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine is Clc1ccc2nc(-c3ccc4c(c3)OCO4)c(NCc3ccccc3)n2c1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine?
The InChIKey is HGBRPEFRTMJLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c22-16-7-9-19-24-20(15-6-8-17-18(10-15)27-13-26-17)21(25(19)12-16)23-11-14-4-2-1-3-5-14/h1-10,12,23H,11,13H2.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine?
2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine has a molecular weight of 377.83 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-benzyl-6-chloroimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42738374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).