1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone

C19H19N9O — CID 90557647

IUPAC1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
SMILESCCn1nnc2c(N3CC(C(=O)N4CCn5c4nc4ccccc45)C3)ncnc21
InChIInChI=1S/C19H19N9O/c1-2-28-17-15(23-24-28)16(20-11-21-17)25-9-12(10-25)18(29)27-8-7-26-14-6-4-3-5-13(14)22-19(26)27/h3-6,11-12H,2,7-10H2,1H3
InChIKeyNLGMFCQIAFQYST-UHFFFAOYSA-N
MW389.42 g/mol
LogP1.07
Rot. Bonds3

About 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone

1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone (PubChem CID 90557647) has the molecular formula C19H19N9O and a molecular weight of 389.42 g/mol. Its IUPAC name is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
PubChem CID90557647
Molecular FormulaC19H19N9O
Molecular Weight389.42 g/mol
Exact Mass389.17
IUPAC Name1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
SMILESCCn1nnc2c(N3CC(C(=O)N4CCn5c4nc4ccccc45)C3)ncnc21
InChIInChI=1S/C19H19N9O/c1-2-28-17-15(23-24-28)16(20-11-21-17)25-9-12(10-25)18(29)27-8-7-26-14-6-4-3-5-13(14)22-19(26)27/h3-6,11-12H,2,7-10H2,1H3
InChIKeyNLGMFCQIAFQYST-UHFFFAOYSA-N
XLogP1.07
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The IUPAC name of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone (CID 90557647) is 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone.
What is the SMILES notation for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The canonical SMILES for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone is CCn1nnc2c(N3CC(C(=O)N4CCn5c4nc4ccccc45)C3)ncnc21.
What is the InChIKey of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
The InChIKey is NLGMFCQIAFQYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N9O/c1-2-28-17-15(23-24-28)16(20-11-21-17)25-9-12(10-25)18(29)27-8-7-26-14-6-4-3-5-13(14)22-19(26)27/h3-6,11-12H,2,7-10H2,1H3.
What are the key properties of 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone?
1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone has a molecular weight of 389.42 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl-[1-(3-ethyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 90557647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).