1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate

C14H22N4O4 — CID 162676650

IUPAC1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate
SMILESCc1ncc([N+](=O)[O-])n1CC(C)OC(=O)NC1CCCCC1
InChIInChI=1S/C14H22N4O4/c1-10(9-17-11(2)15-8-13(17)18(20)21)22-14(19)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyUYFXJOMUIGGBBB-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.55
Rot. Bonds5

About 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate

1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate (PubChem CID 162676650) has the molecular formula C14H22N4O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate.

Molecular Properties

Compound Name1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate
PubChem CID162676650
Molecular FormulaC14H22N4O4
Molecular Weight310.35 g/mol
Exact Mass310.16
IUPAC Name1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate
SMILESCc1ncc([N+](=O)[O-])n1CC(C)OC(=O)NC1CCCCC1
InChIInChI=1S/C14H22N4O4/c1-10(9-17-11(2)15-8-13(17)18(20)21)22-14(19)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,19)
InChIKeyUYFXJOMUIGGBBB-UHFFFAOYSA-N
XLogP2.55
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-5-nitroimidazol-1-yl)ethyl N-cyclohexylcarbamate
CID 162675240
N-cyclohexyl-2-(2-methyl-5-nitro-1H-imidazol-1-yl)acetamide
CID 935604
ethyl (2S)-2-[[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]amino]propanoate
CID 76315690
N-cyclohexyl-1-methyl-5-nitroimidazole-2-carboxamide
CID 134135350
1-[1-(2-acetyloxyethyl)-5-nitroimidazol-2-yl]-N-cyclohexylmethanimine oxide
CID 5995391
methyl (2S)-6-amino-2-[[2-(2-methyl-5-nitroimidazol-1-yl)acetyl]amino]hexanoate
CID 76333845
(2-Me-5-NO2-imidoazol-2yl)Et-carbamic acid, i-Pr
CID 13011479
1-[1-(2-acetyloxyethyl)-5-nitroimidazol-2-yl]-N-cyclohexylmethanimine oxide
CID 302291
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl N-methylcarbamate
CID 91360071
N-[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]hexanamide
CID 5280116
Butyl [2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]carbamate
CID 13011480
2Methyl5nitroimidazol2ylethylcarbamicacidcyclohe
CID 13011483

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate?
The IUPAC name of 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate (CID 162676650) is 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate.
What is the SMILES notation for 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate?
The canonical SMILES for 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate is Cc1ncc([N+](=O)[O-])n1CC(C)OC(=O)NC1CCCCC1.
What is the InChIKey of 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate?
The InChIKey is UYFXJOMUIGGBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O4/c1-10(9-17-11(2)15-8-13(17)18(20)21)22-14(19)16-12-6-4-3-5-7-12/h8,10,12H,3-7,9H2,1-2H3,(H,16,19).
What are the key properties of 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate?
1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate has a molecular weight of 310.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-yl N-cyclohexylcarbamate is sourced from PubChem (CID 162676650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).