2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline

C15H20N4O2 — CID 80841883

IUPAC2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline
SMILESCCCNc1cccc(-n2ccnc2CCC)c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-3-6-14-17-10-11-18(14)13-8-5-7-12(16-9-4-2)15(13)19(20)21/h5,7-8,10-11,16H,3-4,6,9H2,1-2H3
InChIKeyOOGVTDVKLITJEX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.55
Rot. Bonds7

About 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline

2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline (PubChem CID 80841883) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline.

Molecular Properties

Compound Name2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline
PubChem CID80841883
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline
SMILESCCCNc1cccc(-n2ccnc2CCC)c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-3-6-14-17-10-11-18(14)13-8-5-7-12(16-9-4-2)15(13)19(20)21/h5,7-8,10-11,16H,3-4,6,9H2,1-2H3
InChIKeyOOGVTDVKLITJEX-UHFFFAOYSA-N
XLogP3.55
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
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

2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
CID 80908222
3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline
CID 80749761
3-(3,4-dimethylpiperazin-1-yl)-2-nitro-N-propylaniline
CID 80816918
4-[2-nitro-3-(propylamino)phenyl]-1,4-diazepan-2-one
CID 80828870
2-nitro-3-N-(2-propan-2-yloxyethyl)-1-N-propylbenzene-1,3-diamine
CID 104767134
3-ethyl-1-methyl-4-nitro-5-(2-propylimidazol-1-yl)pyrazole
CID 66015885
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197
3-N-(2-methylsulfonylethyl)-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80791907
3-N-(3-ethylpentan-3-yl)-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80827036
3-N,3-N-diethyl-2-nitro-1-N-propylbenzene-1,3-diamine
CID 80767484
3-[(1-methyl-1,2,4-triazol-3-yl)oxy]-2-nitro-N-propylaniline
CID 106598559

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline?
The IUPAC name of 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline (CID 80841883) is 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline.
What is the SMILES notation for 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline?
The canonical SMILES for 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline is CCCNc1cccc(-n2ccnc2CCC)c1[N+](=O)[O-].
What is the InChIKey of 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline?
The InChIKey is OOGVTDVKLITJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-6-14-17-10-11-18(14)13-8-5-7-12(16-9-4-2)15(13)19(20)21/h5,7-8,10-11,16H,3-4,6,9H2,1-2H3.
What are the key properties of 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline?
2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline has a molecular weight of 288.35 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline is sourced from PubChem (CID 80841883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).