[5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone

C15H19BrN4O — CID 22493321

IUPAC[5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Br)ccc1NCC1=NCCN1)N1CCCC1
InChIInChI=1S/C15H19BrN4O/c16-11-3-4-13(19-10-14-17-5-6-18-14)12(9-11)15(21)20-7-1-2-8-20/h3-4,9,19H,1-2,5-8,10H2,(H,17,18)
InChIKeyGNCGITHVYFRRPE-UHFFFAOYSA-N
MW351.25 g/mol
LogP2.10
Rot. Bonds4

About [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone

[5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 22493321) has the molecular formula C15H19BrN4O and a molecular weight of 351.25 g/mol. Its IUPAC name is [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID22493321
Molecular FormulaC15H19BrN4O
Molecular Weight351.25 g/mol
Exact Mass350.07
IUPAC Name[5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc(Br)ccc1NCC1=NCCN1)N1CCCC1
InChIInChI=1S/C15H19BrN4O/c16-11-3-4-13(19-10-14-17-5-6-18-14)12(9-11)15(21)20-7-1-2-8-20/h3-4,9,19H,1-2,5-8,10H2,(H,17,18)
InChIKeyGNCGITHVYFRRPE-UHFFFAOYSA-N
XLogP2.10
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 22493345
[2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)-6-methylphenyl]-pyrrolidin-1-ylmethanone
CID 22493423
[6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indol-3-yl]-thiomorpholin-4-ylmethanone
CID 22573957
[6-bromo-1-(4,5-dihydro-1H-imidazol-2-ylmethyl)indol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 22573969
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
azocan-1-yl-(5-bromo-2-fluorophenyl)methanone
CID 28801538
4-(2,5-dibromobenzoyl)-1,4-diazepan-2-one
CID 114372478
[5-amino-2-(benzylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 100640718
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
azepan-1-yl-[2-(ethylamino)-5-methylphenyl]methanone
CID 55082793
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
(5-bromo-3H-isoindol-1-yl)-pyrrolidin-1-ylmethanone
CID 157068409

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone (CID 22493321) is [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cc(Br)ccc1NCC1=NCCN1)N1CCCC1.
What is the InChIKey of [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is GNCGITHVYFRRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN4O/c16-11-3-4-13(19-10-14-17-5-6-18-14)12(9-11)15(21)20-7-1-2-8-20/h3-4,9,19H,1-2,5-8,10H2,(H,17,18).
What are the key properties of [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone?
[5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 351.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 22493321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).