4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline

C10H9ClN4O2 — CID 10060798

IUPAC4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline
SMILESCc1nccn1-c1cc(N)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H9ClN4O2/c1-6-13-2-3-14(6)9-5-8(12)10(15(16)17)4-7(9)11/h2-5H,12H2,1H3
InChIKeyGOKDUODWXSFEBS-UHFFFAOYSA-N
MW252.66 g/mol
LogP2.32
Rot. Bonds2

About 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline

4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline (PubChem CID 10060798) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline
PubChem CID10060798
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline
SMILESCc1nccn1-c1cc(N)c([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H9ClN4O2/c1-6-13-2-3-14(6)9-5-8(12)10(15(16)17)4-7(9)11/h2-5H,12H2,1H3
InChIKeyGOKDUODWXSFEBS-UHFFFAOYSA-N
XLogP2.32
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-nitro-4-pyrrol-1-ylaniline
CID 18548859
2-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-nitropyrimidine-2,4-diamine
CID 133274418
5-(5-azaspiro[2.4]heptan-5-yl)-4-chloro-2-nitroaniline
CID 67958543
4-chloro-5-fluoro-2-nitroaniline
CID 10465141
1-(3-methoxy-4-nitrophenyl)-2-methylimidazole
CID 11424789
3-amino-1-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]propan-1-one
CID 117414134
4-fluoro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-nitroaniline
CID 133274404
2-(2-methylimidazol-1-yl)aniline;hydrochloride
CID 126802319
2-methyl-1-(3-nitrophenyl)imidazole
CID 59199671
4-bromo-2-(2-methylimidazol-1-yl)aniline
CID 65342749
5-amino-2-(2-methylimidazol-1-yl)phenol
CID 82404649
4-amino-5-[3-chloro-4-(2-methylimidazol-1-yl)phenyl]pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169328915

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline?
The IUPAC name of 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline (CID 10060798) is 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline.
What is the SMILES notation for 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline?
The canonical SMILES for 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline is Cc1nccn1-c1cc(N)c([N+](=O)[O-])cc1Cl.
What is the InChIKey of 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline?
The InChIKey is GOKDUODWXSFEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c1-6-13-2-3-14(6)9-5-8(12)10(15(16)17)4-7(9)11/h2-5H,12H2,1H3.
What are the key properties of 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline?
4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline has a molecular weight of 252.66 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methylimidazol-1-yl)-2-nitroaniline is sourced from PubChem (CID 10060798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).