N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine

C19H17N3S — CID 808829

IUPACN-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C19H17N3S/c1-14-9-10-17-21-18(16-8-5-11-23-16)19(22(17)13-14)20-12-15-6-3-2-4-7-15/h2-11,13,20H,12H2,1H3
InChIKeyPWURZQOPRPXQBP-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.98
Rot. Bonds4

About N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine

N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 808829) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID808829
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC NameN-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C19H17N3S/c1-14-9-10-17-21-18(16-8-5-11-23-16)19(22(17)13-14)20-12-15-6-3-2-4-7-15/h2-11,13,20H,12H2,1H3
InChIKeyPWURZQOPRPXQBP-UHFFFAOYSA-N
XLogP4.98
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Zolimidine
CID 14652
E6Clv6G2RR
CID 16750138
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
1-[(4-methylphenyl)methyl]-4-(thiophen-3-yl)-1H-imidazole
CID 6539905
Ikk-IN-3
CID 10215156
N,4,12-trimethyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823920
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine (CID 808829) is N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1.
What is the InChIKey of N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is PWURZQOPRPXQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-14-9-10-17-21-18(16-8-5-11-23-16)19(22(17)13-14)20-12-15-6-3-2-4-7-15/h2-11,13,20H,12H2,1H3.
What are the key properties of N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 319.43 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 808829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).