5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine

C18H20N6 — CID 134128134

IUPAC5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCc3nc(-c4cc[nH]c4)cn3C)nc2n1
InChIInChI=1S/C18H20N6/c1-12-8-13(2)24-10-15(21-18(24)20-12)4-5-17-22-16(11-23(17)3)14-6-7-19-9-14/h6-11,19H,4-5H2,1-3H3
InChIKeyMWCOLZSOWAZEBA-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.86
Rot. Bonds4

About 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine (PubChem CID 134128134) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine
PubChem CID134128134
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC Name5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CCc3nc(-c4cc[nH]c4)cn3C)nc2n1
InChIInChI=1S/C18H20N6/c1-12-8-13(2)24-10-15(21-18(24)20-12)4-5-17-22-16(11-23(17)3)14-6-7-19-9-14/h6-11,19H,4-5H2,1-3H3
InChIKeyMWCOLZSOWAZEBA-UHFFFAOYSA-N
XLogP2.86
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine (CID 134128134) is 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CCc3nc(-c4cc[nH]c4)cn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is MWCOLZSOWAZEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6/c1-12-8-13(2)24-10-15(21-18(24)20-12)4-5-17-22-16(11-23(17)3)14-6-7-19-9-14/h6-11,19H,4-5H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[2-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 320.40 g/mol, XLogP of 2.86, 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-[1-methyl-4-(1H-pyrrol-3-yl)imidazol-2-yl]ethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 134128134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).