[1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol

C14H15BrN2O2 — CID 116882019

IUPAC[1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
SMILESCOc1ccc(-c2cnc(C3(CO)CC3)[nH]2)cc1Br
InChIInChI=1S/C14H15BrN2O2/c1-19-12-3-2-9(6-10(12)15)11-7-16-13(17-11)14(8-18)4-5-14/h2-3,6-7,18H,4-5,8H2,1H3,(H,16,17)
InChIKeyHZVSYNXYFHLAGF-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.87
Rot. Bonds4

About [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol

[1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol (PubChem CID 116882019) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
PubChem CID116882019
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name[1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
SMILESCOc1ccc(-c2cnc(C3(CO)CC3)[nH]2)cc1Br
InChIInChI=1S/C14H15BrN2O2/c1-19-12-3-2-9(6-10(12)15)11-7-16-13(17-11)14(8-18)4-5-14/h2-3,6-7,18H,4-5,8H2,1H3,(H,16,17)
InChIKeyHZVSYNXYFHLAGF-UHFFFAOYSA-N
XLogP2.87
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882008
[1-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882014
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882670
[1-(5-pyridin-4-yl-1H-imidazol-2-yl)cyclopropyl]methanol
CID 116882053
[3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882665
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 116883439
5-(3-bromo-4-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 116877630
1-[1-[5-(4-bromophenyl)-1H-imidazol-2-yl]cyclopropyl]-N-methylmethanamine
CID 116882172
1-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]cyclobutane-1-carbonitrile
CID 116882236
[3-[5-(5-bromo-2-methoxyphenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanamine
CID 116882722
2-(3-bromo-4-methoxyphenyl)-1H-indole
CID 82050099
[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]oxetan-3-yl]methanol
CID 116882683

Frequently Asked Questions

What is the IUPAC name of [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol?
The IUPAC name of [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol (CID 116882019) is [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol.
What is the SMILES notation for [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol?
The canonical SMILES for [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol is COc1ccc(-c2cnc(C3(CO)CC3)[nH]2)cc1Br.
What is the InChIKey of [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol?
The InChIKey is HZVSYNXYFHLAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-19-12-3-2-9(6-10(12)15)11-7-16-13(17-11)14(8-18)4-5-14/h2-3,6-7,18H,4-5,8H2,1H3,(H,16,17).
What are the key properties of [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol?
[1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol has a molecular weight of 323.19 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(3-bromo-4-methoxyphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol is sourced from PubChem (CID 116882019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).