2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole

C11H10N4 — CID 59346209

IUPAC2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole
SMILESC1=CC2N=C(c3ncccn3)NC2C=C1
InChIInChI=1S/C11H10N4/c1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10/h1-9H,(H,14,15)
InChIKeyXPUKRDGXSKNBJW-UHFFFAOYSA-N
MW198.23 g/mol
LogP0.69
Rot. Bonds1

About 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole

2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole (PubChem CID 59346209) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole.

Molecular Properties

Compound Name2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole
PubChem CID59346209
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole
SMILESC1=CC2N=C(c3ncccn3)NC2C=C1
InChIInChI=1S/C11H10N4/c1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10/h1-9H,(H,14,15)
InChIKeyXPUKRDGXSKNBJW-UHFFFAOYSA-N
XLogP0.69
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3a,7a-dihydro-1H-benzimidazol-2-ylmethylsulfanyl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 71068235
6a,10a-dihydrobenzo[h][1,6]naphthyridine
CID 131966659
2-pyrimidin-2-ylcyclopenta-2,4-diene-1-carbaldehyde
CID 101472011
2-pyrimidin-2-yl-1,3,5-triazine
CID 57112372
(5S)-5-methyl-5H-cyclohepta[b]pyridine
CID 143833793
2-(6-methyl-1,4,5,6-tetrahydropyridazin-3-yl)pyrimidine
CID 143061772
3-[3-[(dipyridin-3-ylamino)methyl]-2-pyridinyl]-3a,7a-dihydro-1H-benzimidazol-2-one;molecular hydrogen
CID 143520551
2-phenylpyrimidine
CID 593578
2-(2-bicyclo[3.1.0]hex-1-enyl)pyrimidine
CID 174794331
4-fluoro-2-pyrimidin-2-ylpyrimidine
CID 175085589
3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one
CID 123353922
pyrimidin-2-amine;hydrate
CID 174293375

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole?
The IUPAC name of 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole (CID 59346209) is 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole.
What is the SMILES notation for 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole?
The canonical SMILES for 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole is C1=CC2N=C(c3ncccn3)NC2C=C1.
What is the InChIKey of 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole?
The InChIKey is XPUKRDGXSKNBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-5-9-8(4-1)14-11(15-9)10-12-6-3-7-13-10/h1-9H,(H,14,15).
What are the key properties of 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole?
2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole has a molecular weight of 198.23 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-3a,7a-dihydro-1H-benzimidazole is sourced from PubChem (CID 59346209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).