[2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane

C16H20BrN3 — CID 177207804

IUPAC[2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane
SMILESCC.NCC1=CN2C=C(c3ccc(Br)cc3)NC2C=C1
InChIInChI=1S/C14H14BrN3.C2H6/c15-12-4-2-11(3-5-12)13-9-18-8-10(7-16)1-6-14(18)17-13;1-2/h1-6,8-9,14,17H,7,16H2;1-2H3
InChIKeyBCLVBMNSPSEBGA-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.42
Rot. Bonds2

About [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane

[2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane (PubChem CID 177207804) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane
PubChem CID177207804
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name[2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane
SMILESCC.NCC1=CN2C=C(c3ccc(Br)cc3)NC2C=C1
InChIInChI=1S/C14H14BrN3.C2H6/c15-12-4-2-11(3-5-12)13-9-18-8-10(7-16)1-6-14(18)17-13;1-2/h1-6,8-9,14,17H,7,16H2;1-2H3
InChIKeyBCLVBMNSPSEBGA-UHFFFAOYSA-N
XLogP3.42
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane?
The IUPAC name of [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane (CID 177207804) is [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane.
What is the SMILES notation for [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane?
The canonical SMILES for [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane is CC.NCC1=CN2C=C(c3ccc(Br)cc3)NC2C=C1.
What is the InChIKey of [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane?
The InChIKey is BCLVBMNSPSEBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3.C2H6/c15-12-4-2-11(3-5-12)13-9-18-8-10(7-16)1-6-14(18)17-13;1-2/h1-6,8-9,14,17H,7,16H2;1-2H3.
What are the key properties of [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane?
[2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane has a molecular weight of 334.26 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl]methanamine;ethane is sourced from PubChem (CID 177207804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).