imidazol-1-yl-(2-methylfuran-3-yl)methanone

C9H8N2O2 — CID 66563653

IUPACimidazol-1-yl-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)n1ccnc1
InChIInChI=1S/C9H8N2O2/c1-7-8(2-5-13-7)9(12)11-4-3-10-6-11/h2-6H,1H3
InChIKeyOOBPIWAAJBRELM-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.47
Rot. Bonds1

About imidazol-1-yl-(2-methylfuran-3-yl)methanone

imidazol-1-yl-(2-methylfuran-3-yl)methanone (PubChem CID 66563653) has the molecular formula C9H8N2O2 and a molecular weight of 176.18 g/mol. Its IUPAC name is imidazol-1-yl-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(2-methylfuran-3-yl)methanone
PubChem CID66563653
Molecular FormulaC9H8N2O2
Molecular Weight176.18 g/mol
Exact Mass176.06
IUPAC Nameimidazol-1-yl-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)n1ccnc1
InChIInChI=1S/C9H8N2O2/c1-7-8(2-5-13-7)9(12)11-4-3-10-6-11/h2-6H,1H3
InChIKeyOOBPIWAAJBRELM-UHFFFAOYSA-N
XLogP1.47
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methylfuran-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 887215
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 40093964
[4-[(5-Chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methylfuran-3-yl)methanone
CID 53591748
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 53617304
(2-Methylfuran-3-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53624998
(2-Methylfuran-3-yl)-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 56778628
1-[[8-(2-Methylfuran-3-carbonyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]pyrrolidin-2-one
CID 97405466
[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 118740883
[3-(cyclopropylmethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(2-methylfuran-3-yl)methanone
CID 118741081
[6-(Methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
CID 118741169
[6-[(Dimethylamino)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-(2-methylfuran-3-yl)methanone
CID 118745029
(2-Methylfuran-3-yl)-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 118745038

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(2-methylfuran-3-yl)methanone?
The IUPAC name of imidazol-1-yl-(2-methylfuran-3-yl)methanone (CID 66563653) is imidazol-1-yl-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for imidazol-1-yl-(2-methylfuran-3-yl)methanone?
The canonical SMILES for imidazol-1-yl-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)n1ccnc1.
What is the InChIKey of imidazol-1-yl-(2-methylfuran-3-yl)methanone?
The InChIKey is OOBPIWAAJBRELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-7-8(2-5-13-7)9(12)11-4-3-10-6-11/h2-6H,1H3.
What are the key properties of imidazol-1-yl-(2-methylfuran-3-yl)methanone?
imidazol-1-yl-(2-methylfuran-3-yl)methanone has a molecular weight of 176.18 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 66563653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).