1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole

C14H15BrN2 — CID 177227497

IUPAC1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole
SMILESCc1cn(C2CC(c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C14H15BrN2/c1-10-8-17(9-16-10)14-6-12(7-14)11-2-4-13(15)5-3-11/h2-5,8-9,12,14H,6-7H2,1H3
InChIKeyQVMMXBFSSHFCDZ-UHFFFAOYSA-N
MW291.19 g/mol
LogP4.07
Rot. Bonds2

About 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole

1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole (PubChem CID 177227497) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole.

Molecular Properties

Compound Name1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole
PubChem CID177227497
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole
SMILESCc1cn(C2CC(c3ccc(Br)cc3)C2)cn1
InChIInChI=1S/C14H15BrN2/c1-10-8-17(9-16-10)14-6-12(7-14)11-2-4-13(15)5-3-11/h2-5,8-9,12,14H,6-7H2,1H3
InChIKeyQVMMXBFSSHFCDZ-UHFFFAOYSA-N
XLogP4.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-(4-bromophenyl)cyclobutyl]-1-methyltetrazole
CID 177227506
1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
CID 67057685
(2S)-1-[3-(4-bromophenyl)cyclobutyl]-2-methylpyrrolidine
CID 67057635
3-(4-bromophenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632689
(2R,4S)-4-(4-bromophenyl)-2-methylpyrrolidine
CID 95365874
3-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 62322840
3-(4-bromophenyl)-N-ethoxycyclobutan-1-amine
CID 82709978
2,6-dibromo-N-[3-(4-bromophenyl)cyclobutyl]-4-methylaniline
CID 63425282
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
5-bromo-N-[3-(4-bromophenyl)cyclobutyl]-2-methylaniline
CID 43729681
N-[3-(4-bromophenyl)cyclobutyl]-1-methylpiperidin-3-amine
CID 61211031

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole?
The IUPAC name of 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole (CID 177227497) is 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole.
What is the SMILES notation for 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole?
The canonical SMILES for 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole is Cc1cn(C2CC(c3ccc(Br)cc3)C2)cn1.
What is the InChIKey of 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole?
The InChIKey is QVMMXBFSSHFCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-10-8-17(9-16-10)14-6-12(7-14)11-2-4-13(15)5-3-11/h2-5,8-9,12,14H,6-7H2,1H3.
What are the key properties of 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole?
1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole has a molecular weight of 291.19 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromophenyl)cyclobutyl]-4-methylimidazole is sourced from PubChem (CID 177227497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).