N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide

C21H16IN3O — CID 90570183

IUPACN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
SMILESO=C(c1ccccc1I)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C21H16IN3O/c22-19-11-5-4-10-18(19)21(26)25(16-8-2-1-3-9-16)15-17-14-23-20-12-6-7-13-24(17)20/h1-14H,15H2
InChIKeyZQFBXNVXSFNMDU-UHFFFAOYSA-N
MW453.28 g/mol
LogP4.79
Rot. Bonds4

About N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide

N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide (PubChem CID 90570183) has the molecular formula C21H16IN3O and a molecular weight of 453.28 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
PubChem CID90570183
Molecular FormulaC21H16IN3O
Molecular Weight453.28 g/mol
Exact Mass453.03
IUPAC NameN-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide
SMILESO=C(c1ccccc1I)N(Cc1cnc2ccccn12)c1ccccc1
InChIInChI=1S/C21H16IN3O/c22-19-11-5-4-10-18(19)21(26)25(16-8-2-1-3-9-16)15-17-14-23-20-12-6-7-13-24(17)20/h1-14H,15H2
InChIKeyZQFBXNVXSFNMDU-UHFFFAOYSA-N
XLogP4.79
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.28
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide?
The IUPAC name of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide (CID 90570183) is N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide is O=C(c1ccccc1I)N(Cc1cnc2ccccn12)c1ccccc1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide?
The InChIKey is ZQFBXNVXSFNMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16IN3O/c22-19-11-5-4-10-18(19)21(26)25(16-8-2-1-3-9-16)15-17-14-23-20-12-6-7-13-24(17)20/h1-14H,15H2.
What are the key properties of N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide?
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide has a molecular weight of 453.28 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-3-ylmethyl)-2-iodo-N-phenylbenzamide is sourced from PubChem (CID 90570183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).