N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride

C16H17BrClN3 — CID 47062124

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride
SMILESCc1ccccc1CNCc1cn2cc(Br)ccc2n1.Cl
InChIInChI=1S/C16H16BrN3.ClH/c1-12-4-2-3-5-13(12)8-18-9-15-11-20-10-14(17)6-7-16(20)19-15;/h2-7,10-11,18H,8-9H2,1H3;1H
InChIKeyZABFSDNPQLYOEJ-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.12
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride (PubChem CID 47062124) has the molecular formula C16H17BrClN3 and a molecular weight of 366.69 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride
PubChem CID47062124
Molecular FormulaC16H17BrClN3
Molecular Weight366.69 g/mol
Exact Mass365.03
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride
SMILESCc1ccccc1CNCc1cn2cc(Br)ccc2n1.Cl
InChIInChI=1S/C16H16BrN3.ClH/c1-12-4-2-3-5-13(12)8-18-9-15-11-20-10-14(17)6-7-16(20)19-15;/h2-7,10-11,18H,8-9H2,1H3;1H
InChIKeyZABFSDNPQLYOEJ-UHFFFAOYSA-N
XLogP4.12
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-[(2-methylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118113923
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(2-fluorophenyl)methyl]-2-methylguanidine
CID 111265567
(6-bromoimidazo[1,2-a]pyridin-2-yl)methanethiol
CID 117256103
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 171146460
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)acetohydrazide
CID 82530333
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-nitrobenzamide
CID 55975866
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971174
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylguanidine
CID 111865712
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]urea
CID 86960090
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
CID 55870227
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55975870

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride (CID 47062124) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride is Cc1ccccc1CNCc1cn2cc(Br)ccc2n1.Cl.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride?
The InChIKey is ZABFSDNPQLYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3.ClH/c1-12-4-2-3-5-13(12)8-18-9-15-11-20-10-14(17)6-7-16(20)19-15;/h2-7,10-11,18H,8-9H2,1H3;1H.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride has a molecular weight of 366.69 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-methylphenyl)methanamine;hydrochloride is sourced from PubChem (CID 47062124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).