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

C10H12ClN3O2 — CID 126477109

IUPAC2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C10H11N3O2.ClH/c14-13(15)9-3-1-8(2-4-9)7-10-11-5-6-12-10;/h1-4H,5-7H2,(H,11,12);1H
InChIKeyCZESHJXCKUQVCK-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.56
Rot. Bonds3

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

2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 126477109) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID126477109
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC Name2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C10H11N3O2.ClH/c14-13(15)9-3-1-8(2-4-9)7-10-11-5-6-12-10;/h1-4H,5-7H2,(H,11,12);1H
InChIKeyCZESHJXCKUQVCK-UHFFFAOYSA-N
XLogP1.56
TPSA67.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.56
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-benzyl-4,5-dihydro-1H-imidazole;hydrate
CID 174926458
N-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601436
N-[2-(4-nitrophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115611145
2-[(4-nitrophenyl)methyl]-1H-imidazole;hydrochloride
CID 131874324
[4-[(4-nitrophenyl)methyl]phenyl]methanol
CID 118428999
2-benzyl-4,5-dihydro-1H-imidazole;sulfurothioic O-acid
CID 18468865
2-[(E)-2-(4-nitrophenyl)ethenyl]-4,5-dihydro-1H-imidazole
CID 121220339
N-[4-methyl-5-[(4-nitrophenyl)methyl]-1,3-thiazol-2-yl]-4,5-dihydro-1H-imidazole-2-carboxamide
CID 43836606
7-(4-nitrophenyl)-5-phenyl-2,3-dihydro-1H-1,4-diazepine
CID 91800800
N-benzyl-4-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
CID 165345148
N-methyl-N-[(4-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119922933
2-[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240282

Frequently Asked Questions

What is the IUPAC name of 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 126477109) is 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride is Cl.O=[N+]([O-])c1ccc(CC2=NCCN2)cc1.
What is the InChIKey of 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is CZESHJXCKUQVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2.ClH/c14-13(15)9-3-1-8(2-4-9)7-10-11-5-6-12-10;/h1-4H,5-7H2,(H,11,12);1H.
What are the key properties of 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 241.68 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-nitrophenyl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 126477109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).