1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole

C15H19BrN2S — CID 130361062

IUPAC1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole
SMILESBrc1ccsc1C(C1CCCCCC1)n1ccnc1
InChIInChI=1S/C15H19BrN2S/c16-13-7-10-19-15(13)14(18-9-8-17-11-18)12-5-3-1-2-4-6-12/h7-12,14H,1-6H2
InChIKeyFUKQRZQREDPSEQ-UHFFFAOYSA-N
MW339.30 g/mol
LogP5.27
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole

1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole (PubChem CID 130361062) has the molecular formula C15H19BrN2S and a molecular weight of 339.30 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole
PubChem CID130361062
Molecular FormulaC15H19BrN2S
Molecular Weight339.30 g/mol
Exact Mass338.05
IUPAC Name1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole
SMILESBrc1ccsc1C(C1CCCCCC1)n1ccnc1
InChIInChI=1S/C15H19BrN2S/c16-13-7-10-19-15(13)14(18-9-8-17-11-18)12-5-3-1-2-4-6-12/h7-12,14H,1-6H2
InChIKeyFUKQRZQREDPSEQ-UHFFFAOYSA-N
XLogP5.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.30
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(3-bromothiophen-2-yl)-cyclohexylmethanamine
CID 130055125
(1S)-3-(3-bromothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-3-imidazol-1-ylpropan-1-ol
CID 130360707
1-(1-cyclopentylpropyl)imidazole
CID 174543958
3-bromo-2-(1-bromo-2-cyclopentylethyl)thiophene
CID 80536775
(R)-(3-bromothiophen-2-yl)-cyclobutylmethanamine;hydrochloride
CID 171211024
3-bromo-2-(1-chloro-2-cyclopentylethyl)thiophene
CID 80536031
(1R)-N-[1-(3-bromothiophen-2-yl)ethyl]-1-cyclopentylethanamine
CID 81394247
1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 104987894
3-[bromo-(3-bromothiophen-2-yl)methyl]oxane
CID 80536906
3-bromo-2-[chloro(cyclopropyl)methyl]thiophene
CID 80536056
N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
CID 115380884
1-(3-bromothiophen-2-yl)-2-cyclopropyl-N-methylpropan-1-amine
CID 83153918

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole?
The IUPAC name of 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole (CID 130361062) is 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole is Brc1ccsc1C(C1CCCCCC1)n1ccnc1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole?
The InChIKey is FUKQRZQREDPSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S/c16-13-7-10-19-15(13)14(18-9-8-17-11-18)12-5-3-1-2-4-6-12/h7-12,14H,1-6H2.
What are the key properties of 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole?
1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole has a molecular weight of 339.30 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)-cycloheptylmethyl]imidazole is sourced from PubChem (CID 130361062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).