2-ethylpyrimido[1,2-a]benzimidazole

C12H11N3 — CID 86020727

IUPAC2-ethylpyrimido[1,2-a]benzimidazole
SMILESCCc1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C12H11N3/c1-2-9-7-8-15-11-6-4-3-5-10(11)14-12(15)13-9/h3-8H,2H2,1H3
InChIKeyYGZQBXTYZJSEPR-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.44
Rot. Bonds1

About 2-ethylpyrimido[1,2-a]benzimidazole

2-ethylpyrimido[1,2-a]benzimidazole (PubChem CID 86020727) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-ethylpyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-ethylpyrimido[1,2-a]benzimidazole
PubChem CID86020727
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name2-ethylpyrimido[1,2-a]benzimidazole
SMILESCCc1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C12H11N3/c1-2-9-7-8-15-11-6-4-3-5-10(11)14-12(15)13-9/h3-8H,2H2,1H3
InChIKeyYGZQBXTYZJSEPR-UHFFFAOYSA-N
XLogP2.44
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pentylpyrimido[1,2-a]benzimidazole
CID 67303420
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
4-ethylpyrrolo[1,2-a]quinoxaline
CID 102458762
N-(2-methylphenyl)pyrimido[1,2-a]benzimidazol-2-amine
CID 155282919
1-pyrimido[1,2-a]benzimidazol-2-ylazetidin-3-ol
CID 58362653
2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
CID 149013956
benzimidazolo[2,1-a]isoquinoline;ethane
CID 156745272
3-pyrimido[1,2-a]benzimidazol-2-ylphenol
CID 58362501
2-aminopyrimido[1,2-a]benzimidazole-3-carbonitrile
CID 14089450
2-(2-fluoro-3-pyridinyl)pyrimido[1,2-a]benzimidazole
CID 142712947
2-[(3S)-3-fluoropyrrolidin-1-yl]pyrimido[1,2-a]benzimidazole
CID 177185487
N-(3-fluoropropyl)-4-pyrimido[1,2-a]benzimidazol-2-ylaniline
CID 53340869

Frequently Asked Questions

What is the IUPAC name of 2-ethylpyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-ethylpyrimido[1,2-a]benzimidazole (CID 86020727) is 2-ethylpyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-ethylpyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-ethylpyrimido[1,2-a]benzimidazole is CCc1ccn2c(n1)nc1ccccc12.
What is the InChIKey of 2-ethylpyrimido[1,2-a]benzimidazole?
The InChIKey is YGZQBXTYZJSEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-9-7-8-15-11-6-4-3-5-10(11)14-12(15)13-9/h3-8H,2H2,1H3.
What are the key properties of 2-ethylpyrimido[1,2-a]benzimidazole?
2-ethylpyrimido[1,2-a]benzimidazole has a molecular weight of 197.24 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylpyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 86020727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).