2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline

C11H10Cl2N4O2 — CID 106891698

IUPAC2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline
SMILESCC(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1ncc[nH]1
InChIInChI=1S/C11H10Cl2N4O2/c1-6(11-14-2-3-15-11)16-10-8(12)4-7(17(18)19)5-9(10)13/h2-6,16H,1H3,(H,14,15)
InChIKeyHAQWXTRFQJHKIR-UHFFFAOYSA-N
MW301.13 g/mol
LogP3.80
Rot. Bonds4

About 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline

2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline (PubChem CID 106891698) has the molecular formula C11H10Cl2N4O2 and a molecular weight of 301.13 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline
PubChem CID106891698
Molecular FormulaC11H10Cl2N4O2
Molecular Weight301.13 g/mol
Exact Mass300.02
IUPAC Name2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline
SMILESCC(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1ncc[nH]1
InChIInChI=1S/C11H10Cl2N4O2/c1-6(11-14-2-3-15-11)16-10-8(12)4-7(17(18)19)5-9(10)13/h2-6,16H,1H3,(H,14,15)
InChIKeyHAQWXTRFQJHKIR-UHFFFAOYSA-N
XLogP3.80
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.13
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2,6-dichloro-4-nitro-N-(1-pyridin-4-ylethyl)aniline
CID 106891428
2,6-dichloro-4-nitro-N-propan-2-ylaniline
CID 13358260
2,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-nitroaniline
CID 106891621
2,6-dichloro-N-[1-(2-fluorophenyl)ethyl]-4-nitroaniline
CID 106891498
4,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 106196599
2,5-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrimidin-4-amine
CID 106196590
2,6-dichloro-N-(1-cyclopentylethyl)-4-nitroaniline
CID 106891570
3-chloro-5-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 103886344
5-chloro-N-[1-(1H-imidazol-2-yl)ethyl]pyrazin-2-amine
CID 130934961
2,6-difluoro-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]aniline
CID 103943095
3-(2,6-dichloro-4-nitroanilino)butanamide
CID 104917716
N-[1-[4-(2-chlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]ethyl]-5-nitropyridin-2-amine
CID 173234270

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline?
The IUPAC name of 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline (CID 106891698) is 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline.
What is the SMILES notation for 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline?
The canonical SMILES for 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline is CC(Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)c1ncc[nH]1.
What is the InChIKey of 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline?
The InChIKey is HAQWXTRFQJHKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O2/c1-6(11-14-2-3-15-11)16-10-8(12)4-7(17(18)19)5-9(10)13/h2-6,16H,1H3,(H,14,15).
What are the key properties of 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline?
2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline has a molecular weight of 301.13 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(1H-imidazol-2-yl)ethyl]-4-nitroaniline is sourced from PubChem (CID 106891698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).