1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine

C12H12N4O2 — CID 65459808

IUPAC1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(-c3ccccc3[N+](=O)[O-])[nH]2)CC1
InChIInChI=1S/C12H12N4O2/c13-12(5-6-12)11-14-7-9(15-11)8-3-1-2-4-10(8)16(17)18/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyUVLONZJRJSPZOY-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.93
Rot. Bonds3

About 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine

1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine (PubChem CID 65459808) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
PubChem CID65459808
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(-c3ccccc3[N+](=O)[O-])[nH]2)CC1
InChIInChI=1S/C12H12N4O2/c13-12(5-6-12)11-14-7-9(15-11)8-3-1-2-4-10(8)16(17)18/h1-4,7H,5-6,13H2,(H,14,15)
InChIKeyUVLONZJRJSPZOY-UHFFFAOYSA-N
XLogP1.93
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.93
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

1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65459361
1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65460043
2-[2-(1-aminocyclobutyl)-1H-imidazol-5-yl]phenol
CID 105486642
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 60843194
1-(5-naphthalen-1-yl-1H-imidazol-2-yl)cyclopentan-1-amine
CID 60854451
1-[5-(furan-2-yl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65456829
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43650518
1-(2-nitrophenyl)cyclopropan-1-amine
CID 55253196
1-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
CID 60853729
3,6-bis(2-nitrophenyl)-1,4-dihydro-1,2,4,5-tetrazine
CID 134109320
5-iodo-2-(2-nitrophenyl)-1H-pyrimidin-6-one
CID 66317414
[2-(2-nitrophenyl)-1H-imidazol-5-yl]methanol
CID 63108243

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine (CID 65459808) is 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine is NC1(c2ncc(-c3ccccc3[N+](=O)[O-])[nH]2)CC1.
What is the InChIKey of 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The InChIKey is UVLONZJRJSPZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c13-12(5-6-12)11-14-7-9(15-11)8-3-1-2-4-10(8)16(17)18/h1-4,7H,5-6,13H2,(H,14,15).
What are the key properties of 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine has a molecular weight of 244.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 65459808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).