5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine

C20H23N5S — CID 53251622

IUPAC5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C(C)C)nc2n1
InChIInChI=1S/C20H23N5S/c1-13(2)24-12-17(18-6-5-9-26-18)23-19(24)8-7-16-11-25-15(4)10-14(3)21-20(25)22-16/h5-6,9-13H,7-8H2,1-4H3
InChIKeyFZXKTJYIBVRUJN-UHFFFAOYSA-N
MW365.51 g/mol
LogP4.64
Rot. Bonds5

About 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine (PubChem CID 53251622) has the molecular formula C20H23N5S and a molecular weight of 365.51 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
PubChem CID53251622
Molecular FormulaC20H23N5S
Molecular Weight365.51 g/mol
Exact Mass365.17
IUPAC Name5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C(C)C)nc2n1
InChIInChI=1S/C20H23N5S/c1-13(2)24-12-17(18-6-5-9-26-18)23-19(24)8-7-16-11-25-15(4)10-14(3)21-20(25)22-16/h5-6,9-13H,7-8H2,1-4H3
InChIKeyFZXKTJYIBVRUJN-UHFFFAOYSA-N
XLogP4.64
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine
CID 129281194
Agl 2043
CID 9817165
2-Ethyl-4-(2-thiazolyl)thieno[3,2-d]pyrimidine
CID 9834769
2-Ethyl-4-pyridin-2-ylthieno[3,2-d]pyrimidine
CID 9964781
5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-ylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrazine
CID 53236526
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-phenyl-1,3-thiazol-2-amine
CID 697303
2-(5-Bromo-2-thienyl)imidazo[1,2-a]pyridine
CID 711734
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
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

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine (CID 53251622) is 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C(C)C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is FZXKTJYIBVRUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5S/c1-13(2)24-12-17(18-6-5-9-26-18)23-19(24)8-7-16-11-25-15(4)10-14(3)21-20(25)22-16/h5-6,9-13H,7-8H2,1-4H3.
What are the key properties of 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 365.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(1-propan-2-yl-4-thiophen-2-ylimidazol-2-yl)ethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 53251622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).