benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate

C16H15IN4O2 — CID 71245011

IUPACbenzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nc2cnccn2c1I)OCc1ccccc1
InChIInChI=1S/C16H15IN4O2/c17-15-13(20-14-10-18-8-9-21(14)15)6-7-19-16(22)23-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,22)
InChIKeyADJRUEBMNAHWQQ-UHFFFAOYSA-N
MW422.23 g/mol
LogP2.80
Rot. Bonds5

About benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate

benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate (PubChem CID 71245011) has the molecular formula C16H15IN4O2 and a molecular weight of 422.23 g/mol. Its IUPAC name is benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
PubChem CID71245011
Molecular FormulaC16H15IN4O2
Molecular Weight422.23 g/mol
Exact Mass422.02
IUPAC Namebenzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
SMILESO=C(NCCc1nc2cnccn2c1I)OCc1ccccc1
InChIInChI=1S/C16H15IN4O2/c17-15-13(20-14-10-18-8-9-21(14)15)6-7-19-16(22)23-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,22)
InChIKeyADJRUEBMNAHWQQ-UHFFFAOYSA-N
XLogP2.80
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[1-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate
CID 67432906
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-(triazol-1-yl)ethyl]carbamate
CID 130166648
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
methyl 2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 67449555
benzyl N-[2,3-dihydroxy-3-(2-imidazol-1-ylpyrimidin-5-yl)propyl]carbamate
CID 171856672
benzyl N-[2-(3-iodophenoxy)ethyl]carbamate
CID 156619995
2-(phenylmethoxycarbonylamino)ethyl pyridine-4-carboperoxoate
CID 164850668
benzyl N-[4-(4-chloro-3-pyridinyl)but-3-enyl]carbamate
CID 170493492

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate (CID 71245011) is benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate is O=C(NCCc1nc2cnccn2c1I)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate?
The InChIKey is ADJRUEBMNAHWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN4O2/c17-15-13(20-14-10-18-8-9-21(14)15)6-7-19-16(22)23-11-12-4-2-1-3-5-12/h1-5,8-10H,6-7,11H2,(H,19,22).
What are the key properties of benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate?
benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate has a molecular weight of 422.23 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(3-iodoimidazo[1,2-a]pyrazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 71245011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).