N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide

C10H10ClN5O2 — CID 54400366

IUPACN-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide
SMILESO=[N+]([O-])NC1=NCCN1C=Cc1ccc(Cl)nc1
InChIInChI=1S/C10H10ClN5O2/c11-9-2-1-8(7-13-9)3-5-15-6-4-12-10(15)14-16(17)18/h1-3,5,7H,4,6H2,(H,12,14)
InChIKeyVMZNHNWXSVYAIZ-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.16
Rot. Bonds3

About N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide

N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide (PubChem CID 54400366) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide.

Molecular Properties

Compound NameN-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide
PubChem CID54400366
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC NameN-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide
SMILESO=[N+]([O-])NC1=NCCN1C=Cc1ccc(Cl)nc1
InChIInChI=1S/C10H10ClN5O2/c11-9-2-1-8(7-13-9)3-5-15-6-4-12-10(15)14-16(17)18/h1-3,5,7H,4,6H2,(H,12,14)
InChIKeyVMZNHNWXSVYAIZ-UHFFFAOYSA-N
XLogP1.16
TPSA83.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[2-(4-chlorophenoxy)ethyl]-4,5-dihydroimidazol-2-yl]nitramide
CID 14672938
N-[1-(2-bromoacetyl)-4,5-dihydroimidazol-2-yl]nitramide
CID 14672963
N-[1-[(2-cyanophenyl)iminomethyl]-4,5-dihydroimidazol-2-yl]nitramide
CID 19756461
N-[1-[(6-chloro-3-pyridinyl)methyl]imidazol-2-yl]nitramide
CID 14626249
2-chloro-5-[(E)-prop-1-enyl]pyridine
CID 56977601
N-chloro-1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 162345034
N-[1-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-yl]nitramide
CID 10219883
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide;3-(methylsulfanylmethyl)-5-[4-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazole
CID 15979288
N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide;trans-(2-methyl-3-phenylphenyl)methyl (1R,3R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 11679181
(E)-3-(6-chloro-3-pyridinyl)prop-2-en-1-ol
CID 10725825
3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide
CID 87138561
(Z)-3-(6-chloro-3-pyridinyl)prop-2-enamide
CID 55267916

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide?
The IUPAC name of N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide (CID 54400366) is N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide.
What is the SMILES notation for N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide?
The canonical SMILES for N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide is O=[N+]([O-])NC1=NCCN1C=Cc1ccc(Cl)nc1.
What is the InChIKey of N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide?
The InChIKey is VMZNHNWXSVYAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c11-9-2-1-8(7-13-9)3-5-15-6-4-12-10(15)14-16(17)18/h1-3,5,7H,4,6H2,(H,12,14).
What are the key properties of N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide?
N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide has a molecular weight of 267.68 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(6-chloro-3-pyridinyl)ethenyl]-4,5-dihydroimidazol-2-yl]nitramide is sourced from PubChem (CID 54400366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).