5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

C16H17BrN4 — CID 115960680

IUPAC5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)c3cccnc23)N1CC1CC1
InChIInChI=1S/C16H17BrN4/c17-13-6-5-12(15-11(13)2-1-7-19-15)14-8-20-16(18)21(14)9-10-3-4-10/h1-2,5-7,10,14H,3-4,8-9H2,(H2,18,20)
InChIKeyKJWYOGLXBMHNCT-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.08
Rot. Bonds3

About 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine

5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 115960680) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
PubChem CID115960680
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(c2ccc(Br)c3cccnc23)N1CC1CC1
InChIInChI=1S/C16H17BrN4/c17-13-6-5-12(15-11(13)2-1-7-19-15)14-8-20-16(18)21(14)9-10-3-4-10/h1-2,5-7,10,14H,3-4,8-9H2,(H2,18,20)
InChIKeyKJWYOGLXBMHNCT-UHFFFAOYSA-N
XLogP3.08
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-bromophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520981
1-ethyl-5-quinolin-8-yl-4,5-dihydroimidazol-2-amine
CID 79509942
1-(cyclopropylmethyl)-5-(2,3-dichlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79521672
1-(cyclopropylmethyl)-5-pyridin-3-yl-4,5-dihydroimidazol-2-amine
CID 79520544
2-(5-bromoquinolin-8-yl)cyclopropan-1-amine
CID 112618257
1-(2-methoxyethyl)-5-quinolin-8-yl-4,5-dihydroimidazol-2-amine
CID 79505077
5-(4-chloro-2-methylphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 114076004
2-(5-bromoquinolin-8-yl)-1-cyclopropylpyrrolidin-3-amine
CID 115960457
4-(5-bromoquinolin-8-yl)-5-ethylpyrrolidin-2-one
CID 112618670
1-(cyclopropylmethyl)-5-(2,5-dimethoxyphenyl)-4,5-dihydroimidazol-2-amine
CID 79521769
5-bromo-8-(2-methylpyrrolidin-3-yl)quinoline
CID 112618368
5-(2-chloro-6-methoxyphenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 104819175

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine (CID 115960680) is 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is NC1=NCC(c2ccc(Br)c3cccnc23)N1CC1CC1.
What is the InChIKey of 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is KJWYOGLXBMHNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c17-13-6-5-12(15-11(13)2-1-7-19-15)14-8-20-16(18)21(14)9-10-3-4-10/h1-2,5-7,10,14H,3-4,8-9H2,(H2,18,20).
What are the key properties of 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine?
5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 345.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromoquinolin-8-yl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 115960680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).