(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone

C15H16N4O4 — CID 51194340

IUPAC(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone
SMILESCn1ccnc1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O4/c1-17-5-4-16-15(17)14(20)11-2-3-12(13(10-11)19(21)22)18-6-8-23-9-7-18/h2-5,10H,6-9H2,1H3
InChIKeyKGAZYAZZRPQGFL-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.40
Rot. Bonds4

About (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone

(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone (PubChem CID 51194340) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone
PubChem CID51194340
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone
SMILESCn1ccnc1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O4/c1-17-5-4-16-15(17)14(20)11-2-3-12(13(10-11)19(21)22)18-6-8-23-9-7-18/h2-5,10H,6-9H2,1H3
InChIKeyKGAZYAZZRPQGFL-UHFFFAOYSA-N
XLogP1.40
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-[4-(1-methylimidazole-2-carbonyl)-2-nitrophenyl]piperazin-1-yl]propan-1-one
CID 133285328
(1-methylimidazol-2-yl)-[4-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-3-nitrophenyl]methanone
CID 133310911
(1-methylimidazol-2-yl)-[4-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-3-nitrophenyl]methanone
CID 133300627
[4-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-3-nitrophenyl]-(1-methylimidazol-2-yl)methanone
CID 86934630
(1-methylimidazol-2-yl)-[3-nitro-4-(3-pyrazol-1-ylpiperidin-1-yl)phenyl]methanone
CID 133275725
(1-methylimidazol-2-yl)-[3-nitro-4-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-1-yl]phenyl]methanone
CID 133301816
N-[(R)-(2-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 34164693
4-morpholin-4-yl-3-nitro-N-pyrimidin-2-ylbenzamide
CID 23931407
N-(4-methylcyclohexyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 17404169
(1-methylimidazol-2-yl)-[4-(2-methylphenyl)sulfanyl-3-nitrophenyl]methanone
CID 133300751
N-(3-methyl-1,3-thiazol-2-ylidene)-4-morpholin-4-yl-3-nitrobenzamide
CID 31288535
N-ethyl-4-morpholin-4-yl-3-nitrobenzamide
CID 18162145

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone (CID 51194340) is (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone is Cn1ccnc1C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1.
What is the InChIKey of (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone?
The InChIKey is KGAZYAZZRPQGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-17-5-4-16-15(17)14(20)11-2-3-12(13(10-11)19(21)22)18-6-8-23-9-7-18/h2-5,10H,6-9H2,1H3.
What are the key properties of (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone?
(1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone has a molecular weight of 316.32 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(4-morpholin-4-yl-3-nitrophenyl)methanone is sourced from PubChem (CID 51194340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).