5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine

C17H17N5S — CID 53251471

IUPAC5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCc3ncc(-c4cccs4)[nH]3)nc2n1
InChIInChI=1S/C17H17N5S/c1-11-8-12(2)22-10-13(20-17(22)19-11)5-6-16-18-9-14(21-16)15-4-3-7-23-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,21)
InChIKeyBZKUSAKBUQKYOV-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.58
Rot. Bonds4

About 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine (PubChem CID 53251471) has the molecular formula C17H17N5S and a molecular weight of 323.43 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
PubChem CID53251471
Molecular FormulaC17H17N5S
Molecular Weight323.43 g/mol
Exact Mass323.12
IUPAC Name5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCc3ncc(-c4cccs4)[nH]3)nc2n1
InChIInChI=1S/C17H17N5S/c1-11-8-12(2)22-10-13(20-17(22)19-11)5-6-16-18-9-14(21-16)15-4-3-7-23-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,21)
InChIKeyBZKUSAKBUQKYOV-UHFFFAOYSA-N
XLogP3.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine with MolForge

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Related Compounds

6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Agl 2043
CID 9817165
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
5,8-dimethyl-2-[2-(2-thiophen-2-yl-1H-imidazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 71450204
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 828652
2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
N-(2-aminoethyl)-12-methyl-4-(1,3-thiazol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093427
N-(2-aminoethyl)-12-methyl-4-(1H-pyrrol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093430
6-(thiophen-2-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538802
N-cyclopentyl-7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine;hydrochloride
CID 16192895
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 628020

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine (CID 53251471) is 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CCc3ncc(-c4cccs4)[nH]3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is BZKUSAKBUQKYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5S/c1-11-8-12(2)22-10-13(20-17(22)19-11)5-6-16-18-9-14(21-16)15-4-3-7-23-15/h3-4,7-10H,5-6H2,1-2H3,(H,18,21).
What are the key properties of 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 323.43 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 53251471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).