3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

C14H18BrN3 — CID 116877175

IUPAC3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1ncc(-c2ccccc2Br)[nH]1
InChIInChI=1S/C14H18BrN3/c1-14(2,7-8-16)13-17-9-12(18-13)10-5-3-4-6-11(10)15/h3-6,9H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyKBKRNFPANXBHPH-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.47
Rot. Bonds4

About 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 116877175) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
PubChem CID116877175
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)(CCN)c1ncc(-c2ccccc2Br)[nH]1
InChIInChI=1S/C14H18BrN3/c1-14(2,7-8-16)13-17-9-12(18-13)10-5-3-4-6-11(10)15/h3-6,9H,7-8,16H2,1-2H3,(H,17,18)
InChIKeyKBKRNFPANXBHPH-UHFFFAOYSA-N
XLogP3.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 116877168
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]propan-2-amine
CID 65458906
1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-1-cyclopropylethanamine
CID 60865968
3-methyl-3-(5-pyridin-3-yl-1H-imidazol-2-yl)butan-1-amine
CID 116877166
2-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine
CID 43650934
2-bromo-5-(2-bromophenyl)-1H-imidazole
CID 117259929
6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651769
5-(2-bromophenyl)-2-butyl-1H-imidazole
CID 67753296
[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclobutyl]methanamine
CID 116882338
methyl 2-[5-(2-bromophenyl)-1H-imidazol-2-yl]butanoate
CID 116883074
2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]butan-2-amine
CID 79811408
1-[5-(2-bromophenyl)-1H-imidazol-2-yl]cyclopropan-1-amine
CID 65459361

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (CID 116877175) is 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is CC(C)(CCN)c1ncc(-c2ccccc2Br)[nH]1.
What is the InChIKey of 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is KBKRNFPANXBHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-14(2,7-8-16)13-17-9-12(18-13)10-5-3-4-6-11(10)15/h3-6,9H,7-8,16H2,1-2H3,(H,17,18).
What are the key properties of 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-bromophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 116877175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).