1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine

C14H13Br2N3S — CID 102845733

IUPAC1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)c(Br)s2)N1Cc1ccccc1
InChIInChI=1S/C14H13Br2N3S/c15-10-6-12(20-13(10)16)11-7-18-14(17)19(11)8-9-4-2-1-3-5-9/h1-6,11H,7-8H2,(H2,17,18)
InChIKeyQNQJOKUUZRENAM-UHFFFAOYSA-N
MW415.15 g/mol
LogP4.14
Rot. Bonds3

About 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine

1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine (PubChem CID 102845733) has the molecular formula C14H13Br2N3S and a molecular weight of 415.15 g/mol. Its IUPAC name is 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine
PubChem CID102845733
Molecular FormulaC14H13Br2N3S
Molecular Weight415.15 g/mol
Exact Mass412.92
IUPAC Name1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2cc(Br)c(Br)s2)N1Cc1ccccc1
InChIInChI=1S/C14H13Br2N3S/c15-10-6-12(20-13(10)16)11-7-18-14(17)19(11)8-9-4-2-1-3-5-9/h1-6,11H,7-8H2,(H2,17,18)
InChIKeyQNQJOKUUZRENAM-UHFFFAOYSA-N
XLogP4.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.15
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-dibromothiophen-2-yl)-1-phenyl-4,5-dihydroimidazol-2-amine
CID 102845790
5-(4,5-dibromothiophen-2-yl)-1-(thiophen-2-ylmethyl)-4,5-dihydroimidazol-2-amine
CID 102845822
1-benzyl-5-thiophen-2-yl-4,5-dihydroimidazol-2-amine
CID 79506524
1-benzyl-5-(2,4-dimethylphenyl)-4,5-dihydroimidazol-2-amine
CID 79498143
1-benzyl-5-(3-methoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79498168
5-(4-bromo-5-methylthiophen-2-yl)-1-butan-2-yl-4,5-dihydroimidazol-2-amine
CID 102845787
5-(azidomethyl)-1-benzyl-4,5-dihydroimidazol-2-amine
CID 79505950
5-(5-bromothiophen-2-yl)-1-ethyl-4,5-dihydroimidazol-2-amine
CID 79509949
1-(3-bromo-4-chlorophenyl)-5-(4-bromo-5-methylthiophen-2-yl)-4,5-dihydroimidazol-2-amine
CID 102845826
1-benzyl-5-pentan-2-yl-4,5-dihydroimidazol-2-amine
CID 79506049
5-(2-bromophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520981
5-(4-bromo-5-methylthiophen-2-yl)-1-(4-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 102845779

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine (CID 102845733) is 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2cc(Br)c(Br)s2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine?
The InChIKey is QNQJOKUUZRENAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br2N3S/c15-10-6-12(20-13(10)16)11-7-18-14(17)19(11)8-9-4-2-1-3-5-9/h1-6,11H,7-8H2,(H2,17,18).
What are the key properties of 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine?
1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine has a molecular weight of 415.15 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4,5-dibromothiophen-2-yl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 102845733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).