N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine

C14H17BrN4 — CID 171101333

IUPACN-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine
SMILESCN(c1ccc(-n2cnc(Br)c2)cc1)C1CCNC1
InChIInChI=1S/C14H17BrN4/c1-18(13-6-7-16-8-13)11-2-4-12(5-3-11)19-9-14(15)17-10-19/h2-5,9-10,13,16H,6-8H2,1H3
InChIKeyTUXXRKKYRTWVFT-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.43
Rot. Bonds3

About N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine

N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine (PubChem CID 171101333) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine
PubChem CID171101333
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC NameN-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine
SMILESCN(c1ccc(-n2cnc(Br)c2)cc1)C1CCNC1
InChIInChI=1S/C14H17BrN4/c1-18(13-6-7-16-8-13)11-2-4-12(5-3-11)19-9-14(15)17-10-19/h2-5,9-10,13,16H,6-8H2,1H3
InChIKeyTUXXRKKYRTWVFT-UHFFFAOYSA-N
XLogP2.43
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-pyrrolidin-3-ylbenzimidazol-5-amine
CID 115118759
4-bromo-1-(4-methylphenyl)imidazole
CID 66520738
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684
N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
CID 70794412
N-methyl-N-(4-nitrophenyl)pyrrolidin-3-amine
CID 63301700
1-cyclopropyl-N-methyl-N-pyrrolidin-3-ylimidazol-2-amine
CID 106552551
5-bromo-N,2-dimethyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 83844947
(3R)-N-[(6-bromo-3-pyridinyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641686
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481
N-methyl-N-thiophen-2-ylpyrrolidin-3-amine
CID 115118676
N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 116977519

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine (CID 171101333) is N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine is CN(c1ccc(-n2cnc(Br)c2)cc1)C1CCNC1.
What is the InChIKey of N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine?
The InChIKey is TUXXRKKYRTWVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-18(13-6-7-16-8-13)11-2-4-12(5-3-11)19-9-14(15)17-10-19/h2-5,9-10,13,16H,6-8H2,1H3.
What are the key properties of N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine?
N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine has a molecular weight of 321.22 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromoimidazol-1-yl)phenyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 171101333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).