1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine

C11H14BrN3 — CID 135386448

IUPAC1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1CCc1cccc(Br)c1
InChIInChI=1S/C11H14BrN3/c12-10-3-1-2-9(8-10)4-6-15-7-5-14-11(15)13/h1-3,8H,4-7H2,(H2,13,14)
InChIKeyZDCPTEUZZKMXSA-UHFFFAOYSA-N
MW268.16 g/mol
LogP1.62
Rot. Bonds3

About 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine

1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine (PubChem CID 135386448) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine
PubChem CID135386448
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine
SMILESNC1=NCCN1CCc1cccc(Br)c1
InChIInChI=1S/C11H14BrN3/c12-10-3-1-2-9(8-10)4-6-15-7-5-14-11(15)13/h1-3,8H,4-7H2,(H2,13,14)
InChIKeyZDCPTEUZZKMXSA-UHFFFAOYSA-N
XLogP1.62
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-Bromophenyl)methyl]-1-(3-pyrrolidin-1-ylpropyl)guanidine
CID 9951559
1-(2-Phenylethyl)-4,5-dihydroimidazol-2-amine
CID 17928801
1-[2-(3-Fluorophenyl)ethyl]-4,5-dihydroimidazol-2-amine
CID 135386427
[(4R)-2-amino-3-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
CID 135386683
(5S)-1-[2-(3-bromophenyl)ethyl]-5-methyl-4,5-dihydroimidazol-2-amine
CID 135387194
2-(4-Bromo-benzyl)-4,5-dihydro-1H-imidazole
CID 10490160
(5S)-5-[4-[(4R)-4-benzyl-3-[2-(3-bromophenyl)ethyl]-2-iminoimidazolidin-1-yl]butyl]-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine
CID 76321256
(5S)-5-[4-[(4R)-3-[2-(3-bromophenyl)ethyl]-4-(cyclohexylmethyl)-2-iminoimidazolidin-1-yl]butyl]-1-heptyl-4,5-dihydroimidazol-2-amine
CID 76328437
(5S)-5-[4-[(4R)-4-benzyl-3-[2-(3-bromophenyl)ethyl]-2-iminoimidazolidin-1-yl]butyl]-1-heptyl-4,5-dihydroimidazol-2-amine
CID 76335740
(5S)-5-[4-[(4R)-3-[2-(3-bromophenyl)ethyl]-4-(cyclohexylmethyl)-2-iminoimidazolidin-1-yl]butyl]-1-(4-methylpentyl)-4,5-dihydroimidazol-2-amine
CID 76335741
5-(3-Bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 13034505
1-[5-(3-Bromophenyl)pentyl]-3-cyano-2-methylguanidine
CID 177656164

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine (CID 135386448) is 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine is NC1=NCCN1CCc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is ZDCPTEUZZKMXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c12-10-3-1-2-9(8-10)4-6-15-7-5-14-11(15)13/h1-3,8H,4-7H2,(H2,13,14).
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine?
1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 268.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 135386448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).