1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole

C16H19BrN2 — CID 82562055

IUPAC1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole
SMILESBrc1ccc(Cn2ccnc2C2CCCCC2)cc1
InChIInChI=1S/C16H19BrN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h6-11,14H,1-5,12H2
InChIKeyCDBOFZNDLHGBQS-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.74
Rot. Bonds3

About 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole

1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole (PubChem CID 82562055) has the molecular formula C16H19BrN2 and a molecular weight of 319.25 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole
PubChem CID82562055
Molecular FormulaC16H19BrN2
Molecular Weight319.25 g/mol
Exact Mass318.07
IUPAC Name1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole
SMILESBrc1ccc(Cn2ccnc2C2CCCCC2)cc1
InChIInChI=1S/C16H19BrN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h6-11,14H,1-5,12H2
InChIKeyCDBOFZNDLHGBQS-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-cyclopropylimidazol-1-yl)methyl]benzonitrile
CID 82561564
4-[1-[(4-fluorophenyl)methyl]imidazol-2-yl]-1-methylpiperidine
CID 56982556
N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 72900440
N-[[1-[(4-bromophenyl)methyl]imidazol-2-yl]methyl]cyclopropanamine
CID 62222363
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
cyclopentyl-[(3S)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97127492
5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline
CID 59198855
1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
CID 57420134
1-[(4-bromophenyl)methyl]-2-[(3,5-dichlorophenyl)methyl]imidazole
CID 82561962
[4-[1-[(1-benzylimidazol-2-yl)methyl]imidazol-2-yl]piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 3474945
3-[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 96579021
[4-(hydroxymethyl)phenyl]-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97280653

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole (CID 82562055) is 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole is Brc1ccc(Cn2ccnc2C2CCCCC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole?
The InChIKey is CDBOFZNDLHGBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2/c17-15-8-6-13(7-9-15)12-19-11-10-18-16(19)14-4-2-1-3-5-14/h6-11,14H,1-5,12H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole?
1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole has a molecular weight of 319.25 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-cyclohexylimidazole is sourced from PubChem (CID 82562055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).