1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea

C16H15N5O3 — CID 31686010

IUPAC1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
SMILESO=C(NCCc1cn2ccccc2n1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N5O3/c22-16(19-13-5-1-2-6-14(13)21(23)24)17-9-8-12-11-20-10-4-3-7-15(20)18-12/h1-7,10-11H,8-9H2,(H2,17,19,22)
InChIKeyNDXJISSLYXYBQE-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea

1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea (PubChem CID 31686010) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea.

Molecular Properties

Compound Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
PubChem CID31686010
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea
SMILESO=C(NCCc1cn2ccccc2n1)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N5O3/c22-16(19-13-5-1-2-6-14(13)21(23)24)17-9-8-12-11-20-10-4-3-7-15(20)18-12/h1-7,10-11H,8-9H2,(H2,17,19,22)
InChIKeyNDXJISSLYXYBQE-UHFFFAOYSA-N
XLogP2.61
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-nitrobenzamide
CID 25429006
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(4-nitropyrazol-1-yl)ethyl]urea
CID 71915147
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 86986997
4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
CID 31257184
5-ethoxy-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methoxy-2-nitrobenzamide
CID 25429884
1-(2-nitrophenyl)-3-propylurea
CID 31682023
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-8-nitroquinolin-4-amine
CID 133436471
1-[(1-hydroxycyclohexyl)methyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 110936525
(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562
1-(2-fluoro-6-phenoxyphenyl)-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 86899115
4-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25429046
1-[(5-bromothiophene-2-carbonyl)amino]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)urea
CID 78858222

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea?
The IUPAC name of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea (CID 31686010) is 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea.
What is the SMILES notation for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea?
The canonical SMILES for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea is O=C(NCCc1cn2ccccc2n1)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea?
The InChIKey is NDXJISSLYXYBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-16(19-13-5-1-2-6-14(13)21(23)24)17-9-8-12-11-20-10-4-3-7-15(20)18-12/h1-7,10-11H,8-9H2,(H2,17,19,22).
What are the key properties of 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea?
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea has a molecular weight of 325.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-(2-nitrophenyl)urea is sourced from PubChem (CID 31686010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).