1H-imidazol-2-yl(morpholin-4-yl)methanone

C8H11N3O2 — CID 110466405

IUPAC1H-imidazol-2-yl(morpholin-4-yl)methanone
SMILESO=C(c1ncc[nH]1)N1CCOCC1
InChIInChI=1S/C8H11N3O2/c12-8(7-9-1-2-10-7)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,9,10)
InChIKeyNGIDPZSKCXUQRK-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.12
Rot. Bonds1

About 1H-imidazol-2-yl(morpholin-4-yl)methanone

1H-imidazol-2-yl(morpholin-4-yl)methanone (PubChem CID 110466405) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1H-imidazol-2-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl(morpholin-4-yl)methanone
PubChem CID110466405
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name1H-imidazol-2-yl(morpholin-4-yl)methanone
SMILESO=C(c1ncc[nH]1)N1CCOCC1
InChIInChI=1S/C8H11N3O2/c12-8(7-9-1-2-10-7)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,9,10)
InChIKeyNGIDPZSKCXUQRK-UHFFFAOYSA-N
XLogP-0.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1H-imidazole-2-carboxylate
CID 549404
morpholin-4-yl-(5-nitro-1H-imidazol-2-yl)methanone
CID 134157732
4-(1H-imidazol-2-ylmethyl)morpholine
CID 272246
N-ethyl-1H-imidazole-2-carboxamide
CID 12945816
Morpholine, 4-(1H-imidazol-2-yl)-
CID 22918961
Piperidinocarbonylimidazole
CID 54177693
N,N-dimethyl-1H-imidazole-2-carboxamide
CID 57114848
2,2-difluoro-N-(1H-imidazol-2-ylmethyl)-N-methyl-3-morpholin-4-yl-3-oxopropanamide
CID 126839700
3-[1H-imidazol-2-ylmethyl(methyl)amino]-1-methylpyrazin-2-one
CID 132375942
(3S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 164629415
Imidazole-2-carboxylic acid n-butylamide
CID 12394411
N-(1h-imidazol-2-yl)-2-(piperazin-1-yl)acet-amide
CID 63563737

Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(morpholin-4-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl(morpholin-4-yl)methanone (CID 110466405) is 1H-imidazol-2-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl(morpholin-4-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl(morpholin-4-yl)methanone is O=C(c1ncc[nH]1)N1CCOCC1.
What is the InChIKey of 1H-imidazol-2-yl(morpholin-4-yl)methanone?
The InChIKey is NGIDPZSKCXUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(7-9-1-2-10-7)11-3-5-13-6-4-11/h1-2H,3-6H2,(H,9,10).
What are the key properties of 1H-imidazol-2-yl(morpholin-4-yl)methanone?
1H-imidazol-2-yl(morpholin-4-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 110466405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).