1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine

C14H18BrN3 — CID 102969656

IUPAC1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1Cc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-10(2)14(16)13-7-17-9-18(13)8-11-4-3-5-12(15)6-11/h3-7,9-10,14H,8,16H2,1-2H3
InChIKeyIODPRNOKDSKFGO-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.35
Rot. Bonds4

About 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine

1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102969656) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID102969656
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1Cc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3/c1-10(2)14(16)13-7-17-9-18(13)8-11-4-3-5-12(15)6-11/h3-7,9-10,14H,8,16H2,1-2H3
InChIKeyIODPRNOKDSKFGO-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942801
2-methyl-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]propan-1-amine
CID 102969413
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659
(1R)-1-[3-[(3-methylphenyl)methyl]imidazol-4-yl]propan-1-amine
CID 104942333
N-[[3-[(3-bromophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147784
1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969676
(1R)-1-[3-[(3-nitrophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942893
2-methyl-1-[3-(2-methylsulfanylethyl)imidazol-4-yl]propan-1-amine
CID 102969725
1-[3-(2-methoxyethyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969486
1-[3-(2-ethylbutyl)imidazol-4-yl]-2-methylpropan-1-amine
CID 102969891
2-methyl-1-[3-(1-phenylpropan-2-yl)imidazol-4-yl]propan-1-amine
CID 102969714
2-methyl-1-[3-[(4-methyl-1,3-thiazol-2-yl)methyl]imidazol-4-yl]propan-1-amine
CID 102969605

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine (CID 102969656) is 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine is CC(C)C(N)c1cncn1Cc1cccc(Br)c1.
What is the InChIKey of 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is IODPRNOKDSKFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10(2)14(16)13-7-17-9-18(13)8-11-4-3-5-12(15)6-11/h3-7,9-10,14H,8,16H2,1-2H3.
What are the key properties of 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 308.22 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-bromophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102969656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).