1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine

C12H11ClN4O2 — CID 65460043

IUPAC1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1
InChIInChI=1S/C12H11ClN4O2/c13-8-2-1-7(5-10(8)17(18)19)9-6-15-11(16-9)12(14)3-4-12/h1-2,5-6H,3-4,14H2,(H,15,16)
InChIKeyWFUSVVCVCKCBJF-UHFFFAOYSA-N
MW278.70 g/mol
LogP2.59
Rot. Bonds3

About 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine

1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine (PubChem CID 65460043) has the molecular formula C12H11ClN4O2 and a molecular weight of 278.70 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
PubChem CID65460043
Molecular FormulaC12H11ClN4O2
Molecular Weight278.70 g/mol
Exact Mass278.06
IUPAC Name1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
SMILESNC1(c2ncc(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1
InChIInChI=1S/C12H11ClN4O2/c13-8-2-1-7(5-10(8)17(18)19)9-6-15-11(16-9)12(14)3-4-12/h1-2,5-6H,3-4,14H2,(H,15,16)
InChIKeyWFUSVVCVCKCBJF-UHFFFAOYSA-N
XLogP2.59
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 52.59
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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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The IUPAC name of 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine (CID 65460043) is 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine.
What is the SMILES notation for 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The canonical SMILES for 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine is NC1(c2ncc(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]2)CC1.
What is the InChIKey of 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
The InChIKey is WFUSVVCVCKCBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O2/c13-8-2-1-7(5-10(8)17(18)19)9-6-15-11(16-9)12(14)3-4-12/h1-2,5-6H,3-4,14H2,(H,15,16).
What are the key properties of 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine?
1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine has a molecular weight of 278.70 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine is sourced from PubChem (CID 65460043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).