(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine

C11H13BrN4 — CID 104942155

IUPAC(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(Br)cn1
InChIInChI=1S/C11H13BrN4/c1-2-9(13)10-6-14-7-16(10)11-4-3-8(12)5-15-11/h3-7,9H,2,13H2,1H3/t9-/m1/s1
InChIKeyHGUIHQDDKRMTCQ-SECBINFHSA-N
MW281.16 g/mol
LogP2.44
Rot. Bonds3

About (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine

(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine (PubChem CID 104942155) has the molecular formula C11H13BrN4 and a molecular weight of 281.16 g/mol. Its IUPAC name is (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
PubChem CID104942155
Molecular FormulaC11H13BrN4
Molecular Weight281.16 g/mol
Exact Mass280.03
IUPAC Name(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine
SMILESCC[C@@H](N)c1cncn1-c1ccc(Br)cn1
InChIInChI=1S/C11H13BrN4/c1-2-9(13)10-6-14-7-16(10)11-4-3-8(12)5-15-11/h3-7,9H,2,13H2,1H3/t9-/m1/s1
InChIKeyHGUIHQDDKRMTCQ-SECBINFHSA-N
XLogP2.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]-3-methylbutan-1-amine
CID 107444003
(1R)-1-[3-(2-bromo-4-chlorophenyl)imidazol-4-yl]propan-1-amine
CID 104943468
(1R)-1-[3-(4-bromonaphthalen-1-yl)imidazol-4-yl]propan-1-amine
CID 104943675
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
CID 114703974
(1R)-1-[3-(2,5-difluorophenyl)imidazol-4-yl]propan-1-amine
CID 104941719
(1R)-1-[3-(4-butylphenyl)imidazol-4-yl]propan-1-amine
CID 104941487
(1R)-1-(3-hexan-3-ylimidazol-4-yl)propan-1-amine
CID 104942872
(1R)-1-[3-(3-chloro-4-methylphenyl)imidazol-4-yl]propan-1-amine
CID 104941641
4-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]pyridin-2-amine
CID 114717768
(1R)-1-[3-(2-chloro-5-methylphenyl)imidazol-4-yl]propan-1-amine
CID 107641143
(1R)-1-[3-(4-bromo-2-ethylphenyl)imidazol-4-yl]ethanamine
CID 104943472
(1R)-1-[3-(4-ethyl-3-methylphenyl)imidazol-4-yl]propan-1-amine
CID 114250822

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine?
The IUPAC name of (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine (CID 104942155) is (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine.
What is the SMILES notation for (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine?
The canonical SMILES for (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine is CC[C@@H](N)c1cncn1-c1ccc(Br)cn1.
What is the InChIKey of (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine?
The InChIKey is HGUIHQDDKRMTCQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H13BrN4/c1-2-9(13)10-6-14-7-16(10)11-4-3-8(12)5-15-11/h3-7,9H,2,13H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine?
(1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine has a molecular weight of 281.16 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-1-amine is sourced from PubChem (CID 104942155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).