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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Related Compounds

1-[5-(2-nitrophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65459808
5-(4-bromophenyl)-2-(4-chloro-3-nitrophenyl)-1H-imidazole
CID 143152406
1-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]cyclopentan-1-amine
CID 60853729
3-(4-chloro-3-nitrophenyl)-4,4-dimethyl-1,5-dihydropyridazin-6-one
CID 70572948
1-(5-chloro-2-nitrophenyl)cyclopropan-1-amine
CID 130545850
3-(4-chloro-3-nitrophenyl)benzaldehyde
CID 82039643
(4Z)-4-benzylidene-2-(4-chloro-3-nitrophenyl)-1H-imidazol-5-one
CID 135699336
1-chloro-4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-nitrobenzene
CID 125465323
3-(4-chloro-3-nitrophenyl)-6-methyl-1,2-dihydro-1,2,4-triazine-5-carbaldehyde
CID 174434238
5-(4-chloro-3-nitrophenyl)-3-ethyl-1,2,4-oxadiazole
CID 23010472
5-(3,4-dichlorophenyl)-1H-imidazol-2-amine;3-methyl-2-nitroimidazole-4-carbaldehyde
CID 88837370
1-(5-bromo-3-nitro-2-pyridinyl)cyclopropan-1-amine
CID 130160924

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).