1-(cyclobuten-1-yl)imidazole

C7H8N2 — CID 151439596

IUPAC1-(cyclobuten-1-yl)imidazole
SMILESC1=C(n2ccnc2)CC1
InChIInChI=1S/C7H8N2/c1-2-7(3-1)9-5-4-8-6-9/h2,4-6H,1,3H2
InChIKeyPEFYNUQCXRACMH-UHFFFAOYSA-N
MW120.15 g/mol
LogP1.52
Rot. Bonds1

About 1-(cyclobuten-1-yl)imidazole

1-(cyclobuten-1-yl)imidazole (PubChem CID 151439596) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 1-(cyclobuten-1-yl)imidazole.

Molecular Properties

Compound Name1-(cyclobuten-1-yl)imidazole
PubChem CID151439596
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name1-(cyclobuten-1-yl)imidazole
SMILESC1=C(n2ccnc2)CC1
InChIInChI=1S/C7H8N2/c1-2-7(3-1)9-5-4-8-6-9/h2,4-6H,1,3H2
InChIKeyPEFYNUQCXRACMH-UHFFFAOYSA-N
XLogP1.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 142795958
N-(3-imidazol-1-yl-2-methylcyclopent-2-en-1-ylidene)hydroxylamine
CID 140842162
3-imidazol-1-yl-5,6-dihydro-4H-oxazine
CID 67639318
3-imidazol-1-yl-1,2,4,5-tetrazine
CID 86097321
6-imidazol-1-yl-7,8-dihydronaphthalene-2-carbonitrile
CID 15049002
3-imidazol-1-ylpyridazine-4-carboximidamide
CID 80513473
6-[(4-imidazol-1-ylphenoxy)methyl]-3,4-dihydropyridine
CID 129036188
6-imidazol-1-yl-7,8-dihydronaphthalene-2-carboxylic acid
CID 3021570
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
2-chloro-4,6-di(imidazol-1-yl)-1,3,5-triazine
CID 62863486
(4-imidazol-1-ylphenyl)arsane
CID 173134933
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobuten-1-yl)imidazole?
The IUPAC name of 1-(cyclobuten-1-yl)imidazole (CID 151439596) is 1-(cyclobuten-1-yl)imidazole.
What is the SMILES notation for 1-(cyclobuten-1-yl)imidazole?
The canonical SMILES for 1-(cyclobuten-1-yl)imidazole is C1=C(n2ccnc2)CC1.
What is the InChIKey of 1-(cyclobuten-1-yl)imidazole?
The InChIKey is PEFYNUQCXRACMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-7(3-1)9-5-4-8-6-9/h2,4-6H,1,3H2.
What are the key properties of 1-(cyclobuten-1-yl)imidazole?
1-(cyclobuten-1-yl)imidazole has a molecular weight of 120.15 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobuten-1-yl)imidazole is sourced from PubChem (CID 151439596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).