N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline

C14H11ClIN3 — CID 78912750

IUPACN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline
SMILESClc1ccc2nc(CNc3ccc(I)cc3)cn2c1
InChIInChI=1S/C14H11ClIN3/c15-10-1-6-14-18-13(9-19(14)8-10)7-17-12-4-2-11(16)3-5-12/h1-6,8-9,17H,7H2
InChIKeyIHAIPVOQWBAWEZ-UHFFFAOYSA-N
MW383.62 g/mol
LogP4.20
Rot. Bonds3

About N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline (PubChem CID 78912750) has the molecular formula C14H11ClIN3 and a molecular weight of 383.62 g/mol. Its IUPAC name is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline.

Molecular Properties

Compound NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline
PubChem CID78912750
Molecular FormulaC14H11ClIN3
Molecular Weight383.62 g/mol
Exact Mass382.97
IUPAC NameN-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline
SMILESClc1ccc2nc(CNc3ccc(I)cc3)cn2c1
InChIInChI=1S/C14H11ClIN3/c15-10-1-6-14-18-13(9-19(14)8-10)7-17-12-4-2-11(16)3-5-12/h1-6,8-9,17H,7H2
InChIKeyIHAIPVOQWBAWEZ-UHFFFAOYSA-N
XLogP4.20
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.62
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]aniline
CID 78912513
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-methoxyaniline
CID 78912735
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2,5-difluoroaniline
CID 78914191
1-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82723556
2-chloro-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-5-methylaniline
CID 107634826
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutan-2-amine
CID 115625717
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-propan-2-ylaniline
CID 78914568
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969452
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]but-2-yn-1-amine
CID 115866233
2-bromo-N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4,6-difluoroaniline
CID 115345097
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-3,3-dimethylbutanamide
CID 47150050

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline?
The IUPAC name of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline (CID 78912750) is N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline.
What is the SMILES notation for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline?
The canonical SMILES for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline is Clc1ccc2nc(CNc3ccc(I)cc3)cn2c1.
What is the InChIKey of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline?
The InChIKey is IHAIPVOQWBAWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClIN3/c15-10-1-6-14-18-13(9-19(14)8-10)7-17-12-4-2-11(16)3-5-12/h1-6,8-9,17H,7H2.
What are the key properties of N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline?
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline has a molecular weight of 383.62 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-4-iodoaniline is sourced from PubChem (CID 78912750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).