2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole

C10H11N3O2 — CID 10330581

IUPAC2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1ccccc1CC1=NCCN1
InChIInChI=1S/C10H11N3O2/c14-13(15)9-4-2-1-3-8(9)7-10-11-5-6-12-10/h1-4H,5-7H2,(H,11,12)
InChIKeyKAUSKTOYDDNFCR-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.14
Rot. Bonds3

About 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 10330581) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID10330581
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESO=[N+]([O-])c1ccccc1CC1=NCCN1
InChIInChI=1S/C10H11N3O2/c14-13(15)9-4-2-1-3-8(9)7-10-11-5-6-12-10/h1-4H,5-7H2,(H,11,12)
InChIKeyKAUSKTOYDDNFCR-UHFFFAOYSA-N
XLogP1.14
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
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-(2-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 10877953
2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 126477109
3-(4,5-dihydro-1H-imidazol-2-yl)-2-[(2-nitrophenyl)methoxy]pyridine
CID 82252016
N-[2-(2-nitrophenyl)ethyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119138331
2-[(2-nitrophenyl)methyl]phenol
CID 22062598
N-[2-(2-nitrophenyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine
CID 15175563
5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole
CID 23317335
3-[(2-nitrophenyl)methyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 135667644
1-nitro-2-(2,2,2-tribromoethyl)benzene
CID 142647889
2-(2-nitrophenyl)-N-oxoacetamide
CID 174738474
1-[(2-nitrophenyl)methyl]imidazolidin-2-one
CID 71758327
(2-nitrophenyl)methanol
CID 11923

Frequently Asked Questions

What is the IUPAC name of 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole (CID 10330581) is 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole is O=[N+]([O-])c1ccccc1CC1=NCCN1.
What is the InChIKey of 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is KAUSKTOYDDNFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-13(15)9-4-2-1-3-8(9)7-10-11-5-6-12-10/h1-4H,5-7H2,(H,11,12).
What are the key properties of 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 205.22 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10330581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).