N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine

C10H10N4O2 — CID 53303103

IUPACN-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine
SMILESCNc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1
InChIInChI=1S/C10H10N4O2/c1-11-10-12-6-9(13-10)7-2-4-8(5-3-7)14(15)16/h2-6H,1H3,(H2,11,12,13)
InChIKeyVZZJNIBYCNWFRI-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.03
Rot. Bonds3

About N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine

N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine (PubChem CID 53303103) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine
PubChem CID53303103
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC NameN-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine
SMILESCNc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1
InChIInChI=1S/C10H10N4O2/c1-11-10-12-6-9(13-10)7-2-4-8(5-3-7)14(15)16/h2-6H,1H3,(H2,11,12,13)
InChIKeyVZZJNIBYCNWFRI-UHFFFAOYSA-N
XLogP2.03
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.03
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-methyl-3-methylsulfanyl-N-[5-(4-nitrophenyl)-1H-imidazol-2-yl]propanamide
CID 126829393
N-(2-methyl-5-nitrophenyl)-5-phenyl-1H-imidazol-2-amine
CID 24971010
N-[2-[5-(4-nitrophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853279
(S)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
CID 95864954
(R)-(4-nitrophenyl)-[5-(4-nitrophenyl)-1H-imidazol-2-yl]methanol
CID 95864953
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[5-(4-nitrophenyl)-1H-imidazol-2-yl]carbamate
CID 175863126
5-tert-butyl-2-(4-nitrophenyl)-1H-imidazole
CID 90705993
6-(4-nitrophenyl)-1H-pyridin-2-one
CID 122200181
N-methyl-1-(5-nitro-2-pyridinyl)methanamine
CID 144940815
4-methyl-2-(4-nitrophenyl)-1H-pyrrole
CID 102097290
2-[(2-methylnaphthalen-1-yl)methylsulfanyl]-5-(4-nitrophenyl)-1H-imidazole
CID 1339871
2-(4-fluorophenyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine
CID 118466697

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine?
The IUPAC name of N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine (CID 53303103) is N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine.
What is the SMILES notation for N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine?
The canonical SMILES for N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine is CNc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1.
What is the InChIKey of N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine?
The InChIKey is VZZJNIBYCNWFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-11-10-12-6-9(13-10)7-2-4-8(5-3-7)14(15)16/h2-6H,1H3,(H2,11,12,13).
What are the key properties of N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine?
N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine has a molecular weight of 218.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-nitrophenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 53303103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).