1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine

C13H16BrN3 — CID 106721026

IUPAC1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C13H16BrN3/c1-10(15)6-13-8-17(9-16-13)7-11-2-4-12(14)5-3-11/h2-5,8-10H,6-7,15H2,1H3
InChIKeyDMSQHBUORIJZRQ-UHFFFAOYSA-N
MW294.20 g/mol
LogP2.58
Rot. Bonds4

About 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine

1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine (PubChem CID 106721026) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
PubChem CID106721026
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine
SMILESCC(N)Cc1cn(Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C13H16BrN3/c1-10(15)6-13-8-17(9-16-13)7-11-2-4-12(14)5-3-11/h2-5,8-10H,6-7,15H2,1H3
InChIKeyDMSQHBUORIJZRQ-UHFFFAOYSA-N
XLogP2.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721205
1-[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721079
1-[1-[[4-(2-aminopropyl)imidazol-1-yl]methyl]imidazol-4-yl]propan-2-amine
CID 59827554
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721184
5-[[4-(2-aminopropyl)imidazol-1-yl]methyl]-2-methoxybenzonitrile
CID 106721101
1-[1-[(2-bromo-5-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721100
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721122
2-[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]ethanamine
CID 79982797
1-[1-[2-(4-nitrophenyl)ethyl]imidazol-4-yl]propan-2-amine
CID 106721204
1-[1-[(2-methoxy-5-methylphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721192
1-[1-[(2-nitrophenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721091
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine (CID 106721026) is 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine is CC(N)Cc1cn(Cc2ccc(Br)cc2)cn1.
What is the InChIKey of 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine?
The InChIKey is DMSQHBUORIJZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-10(15)6-13-8-17(9-16-13)7-11-2-4-12(14)5-3-11/h2-5,8-10H,6-7,15H2,1H3.
What are the key properties of 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine?
1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine has a molecular weight of 294.20 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-bromophenyl)methyl]imidazol-4-yl]propan-2-amine is sourced from PubChem (CID 106721026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).