(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol

C14H17BrN2O — CID 18437785

IUPAC(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol
SMILESCCCCn1c(-c2ccccc2)nc(Br)c1CO
InChIInChI=1S/C14H17BrN2O/c1-2-3-9-17-12(10-18)13(15)16-14(17)11-7-5-4-6-8-11/h4-8,18H,2-3,9-10H2,1H3
InChIKeyYBYUSOXNXIWSCL-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.61
Rot. Bonds5

About (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol

(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol (PubChem CID 18437785) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol
PubChem CID18437785
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol
SMILESCCCCn1c(-c2ccccc2)nc(Br)c1CO
InChIInChI=1S/C14H17BrN2O/c1-2-3-9-17-12(10-18)13(15)16-14(17)11-7-5-4-6-8-11/h4-8,18H,2-3,9-10H2,1H3
InChIKeyYBYUSOXNXIWSCL-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butyl-4,5-dimethyl-2-phenylimidazole
CID 122623668
1-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-bromo-3-butyl-2-phenylimidazol-4-yl)methyl]methanamine
CID 18437480
methyl 1-butyl-5-[(dimethylamino)methyl]-2-phenylimidazole-4-carboxylate
CID 58817975
[2-[[butyl-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]amino]methyl]phenyl]methanol
CID 69326594
4-(3-butyl-2,5-diphenylimidazol-4-yl)butanamide
CID 141076541
1-dodecyl-4,5-dimethyl-2-phenylimidazole
CID 20532413
3-butyl-4-methyl-2-phenyl-5,6-dihydro-4H-cyclopenta[d]imidazole
CID 20777189
N-[(5-bromo-3-butyl-2-phenylimidazol-4-yl)methyl]-1-[4-(difluoromethoxy)phenyl]-N-[(3-methylphenyl)methyl]methanamine
CID 58818081
1-[3-butyl-5-[fluoro(dimethoxy)methyl]-2-phenylimidazol-4-yl]-N,N-dimethylmethanamine
CID 67208854
N-[(3-butyl-2,5-diphenylimidazol-4-yl)methyl]-N-[(2,6-dichlorophenyl)methyl]butan-1-amine
CID 69325596
4-[[(3-butyl-2,5-diphenylimidazol-4-yl)methylamino]methyl]benzene-1,2-diol
CID 18437923
4-bromo-1-(methoxymethyl)-2,5-diphenylimidazole
CID 86178563

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol?
The IUPAC name of (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol (CID 18437785) is (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol.
What is the SMILES notation for (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol?
The canonical SMILES for (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol is CCCCn1c(-c2ccccc2)nc(Br)c1CO.
What is the InChIKey of (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol?
The InChIKey is YBYUSOXNXIWSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-2-3-9-17-12(10-18)13(15)16-14(17)11-7-5-4-6-8-11/h4-8,18H,2-3,9-10H2,1H3.
What are the key properties of (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol?
(5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol has a molecular weight of 309.21 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-butyl-2-phenylimidazol-4-yl)methanol is sourced from PubChem (CID 18437785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).