2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide

C18H22N4O4 — CID 141273161

IUPAC2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide
SMILESCNC(=O)n1cc(-c2ccc(OC)c([N+](=O)[O-])c2)nc1C1CCCCC1
InChIInChI=1S/C18H22N4O4/c1-19-18(23)21-11-14(20-17(21)12-6-4-3-5-7-12)13-8-9-16(26-2)15(10-13)22(24)25/h8-12H,3-7H2,1-2H3,(H,19,23)
InChIKeyPVRPOZINHXQYQI-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.70
Rot. Bonds4

About 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide

2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide (PubChem CID 141273161) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide
PubChem CID141273161
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide
SMILESCNC(=O)n1cc(-c2ccc(OC)c([N+](=O)[O-])c2)nc1C1CCCCC1
InChIInChI=1S/C18H22N4O4/c1-19-18(23)21-11-14(20-17(21)12-6-4-3-5-7-12)13-8-9-16(26-2)15(10-13)22(24)25/h8-12H,3-7H2,1-2H3,(H,19,23)
InChIKeyPVRPOZINHXQYQI-UHFFFAOYSA-N
XLogP3.70
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.70
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'}

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Related Compounds

1-(4-methoxy-3-nitrobenzyl)-2-methyl-4-nitro-1H-imidazole
CID 1420827
1-(4-methoxy-3-nitrobenzyl)-4-nitro-1H-imidazole
CID 1424792
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-pentyl-urea
CID 9824974
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-propyl-urea
CID 10025201
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-ethyl-urea
CID 10069976
3-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-1-methyl-1-pentyl-urea
CID 10095943
1-(2-Methyl-6-{3-[4-(4-nitro-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10253938
1-(2-Dimethylamino-6-{3-[4-(4-methoxy-phenyl)-2-methyl-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10323444
1-Butyl-3-{2-dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-urea
CID 10388270
1-{2-Dimethylamino-6-[3-(4-phenyl-imidazol-1-yl)-propoxy]-phenyl}-3-hexyl-urea
CID 10389684
1-{2-[3-(5-Methyl-4-phenyl-imidazol-1-yl)-propoxy]-6-nitro-phenyl}-3-pentyl-urea
CID 10412183
1-(2-Dimethylamino-6-{3-[4-(4-methoxy-phenyl)-imidazol-1-yl]-propoxy}-phenyl)-3-pentyl-urea
CID 10412851

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide?
The IUPAC name of 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide (CID 141273161) is 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide.
What is the SMILES notation for 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide?
The canonical SMILES for 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide is CNC(=O)n1cc(-c2ccc(OC)c([N+](=O)[O-])c2)nc1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide?
The InChIKey is PVRPOZINHXQYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-19-18(23)21-11-14(20-17(21)12-6-4-3-5-7-12)13-8-9-16(26-2)15(10-13)22(24)25/h8-12H,3-7H2,1-2H3,(H,19,23).
What are the key properties of 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide?
2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(4-methoxy-3-nitrophenyl)-N-methylimidazole-1-carboxamide is sourced from PubChem (CID 141273161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).