N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine

C10H10ClN5O2 — CID 140896143

IUPACN-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1cccc(Cl)c1/C=N/NC1=NCCN1
InChIInChI=1S/C10H10ClN5O2/c11-8-2-1-3-9(16(17)18)7(8)6-14-15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)/b14-6+
InChIKeyOBHXMCOGGOZNLP-MKMNVTDBSA-N
MW267.68 g/mol
LogP1.13
Rot. Bonds3

About N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine

N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 140896143) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID140896143
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC NameN-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESO=[N+]([O-])c1cccc(Cl)c1/C=N/NC1=NCCN1
InChIInChI=1S/C10H10ClN5O2/c11-8-2-1-3-9(16(17)18)7(8)6-14-15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)/b14-6+
InChIKeyOBHXMCOGGOZNLP-MKMNVTDBSA-N
XLogP1.13
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

N-[(2,6-dichlorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217277
N-[[2-chloro-6-(trifluoromethyl)phenyl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217329
4-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-2-nitrophenol
CID 177469296
N-[(2,6-difluorophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrochloride
CID 146217300
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
CID 140896160
1-(2-chloro-6-nitrophenyl)-N-pyridin-3-ylmethanimine
CID 169152049
2-(2-chloro-3-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 166454548
N-[(E)-pyridin-3-ylmethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 5338079
N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 15175563
N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine
CID 98561244
N-[(3S,3aR,6S,6aR)-6-[(2-chloro-6-nitrophenyl)methylideneamino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-1-(2-chloro-6-nitrophenyl)methanimine
CID 101197324
N-[[1-(4-chlorophenyl)pyrrol-2-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 68930833

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 140896143) is N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is O=[N+]([O-])c1cccc(Cl)c1/C=N/NC1=NCCN1.
What is the InChIKey of N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is OBHXMCOGGOZNLP-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c11-8-2-1-3-9(16(17)18)7(8)6-14-15-10-12-4-5-13-10/h1-3,6H,4-5H2,(H2,12,13,15)/b14-6+.
What are the key properties of N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 267.68 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-6-nitrophenyl)methylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 140896143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).