N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine

C14H16N4O2 — CID 60841957

IUPACN-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
SMILESCc1[nH]c(CNC2CC2)nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O2/c1-9-14(10-3-2-4-12(7-10)18(19)20)17-13(16-9)8-15-11-5-6-11/h2-4,7,11,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyCOSBTNKJTFMNNN-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.55
Rot. Bonds5

About N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine

N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine (PubChem CID 60841957) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
PubChem CID60841957
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
SMILESCc1[nH]c(CNC2CC2)nc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H16N4O2/c1-9-14(10-3-2-4-12(7-10)18(19)20)17-13(16-9)8-15-11-5-6-11/h2-4,7,11,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyCOSBTNKJTFMNNN-UHFFFAOYSA-N
XLogP2.55
TPSA83.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.55
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

trans-(1R,2R)-2-[methyl-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]amino]cyclohexan-1-ol
CID 124726680
N-[[2-methyl-6-(3-nitrophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 82453445
N-[[5-chloro-2-(3-nitrophenyl)phenyl]methyl]cyclopropanamine
CID 66160692
N-[[5-(3-nitrophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065625
1-methyl-1-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]-3-(oxolan-2-ylmethyl)urea
CID 75398105
2-[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232926
N-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 60835770
4-[(3-nitrophenyl)methylamino]cyclohexan-1-ol
CID 28615203
2,6-dimethyl-4-(3-nitrophenyl)pyridine
CID 3016152
N-[[3-(3-nitrophenoxy)phenyl]methyl]cyclopropanamine
CID 63942130
N-[2-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62164852
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine (CID 60841957) is N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine is Cc1[nH]c(CNC2CC2)nc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
The InChIKey is COSBTNKJTFMNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-14(10-3-2-4-12(7-10)18(19)20)17-13(16-9)8-15-11-5-6-11/h2-4,7,11,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine has a molecular weight of 272.31 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(3-nitrophenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 60841957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).