7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

C12H15N3 — CID 2870375

IUPAC7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCc1cc2nc3n(c2cc1C)CCCN3
InChIInChI=1S/C12H15N3/c1-8-6-10-11(7-9(8)2)15-5-3-4-13-12(15)14-10/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyNGYOHRVZSJQSMX-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.47
Rot. Bonds

About 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole

7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (PubChem CID 2870375) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
PubChem CID2870375
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole
SMILESCc1cc2nc3n(c2cc1C)CCCN3
InChIInChI=1S/C12H15N3/c1-8-6-10-11(7-9(8)2)15-5-3-4-13-12(15)14-10/h6-7H,3-5H2,1-2H3,(H,13,14)
InChIKeyNGYOHRVZSJQSMX-UHFFFAOYSA-N
XLogP2.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The IUPAC name of 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole (CID 2870375) is 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The canonical SMILES for 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is Cc1cc2nc3n(c2cc1C)CCCN3.
What is the InChIKey of 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
The InChIKey is NGYOHRVZSJQSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8-6-10-11(7-9(8)2)15-5-3-4-13-12(15)14-10/h6-7H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole?
7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole has a molecular weight of 201.27 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 2870375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).