6-methyl-2-pyrimidin-5-yl-1H-benzimidazole

C12H10N4 — CID 102922101

IUPAC6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cncnc3)[nH]c2c1
InChIInChI=1S/C12H10N4/c1-8-2-3-10-11(4-8)16-12(15-10)9-5-13-7-14-6-9/h2-7H,1H3,(H,15,16)
InChIKeyOOZPZLYDQCIOIK-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.33
Rot. Bonds1

About 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole

6-methyl-2-pyrimidin-5-yl-1H-benzimidazole (PubChem CID 102922101) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
PubChem CID102922101
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cncnc3)[nH]c2c1
InChIInChI=1S/C12H10N4/c1-8-2-3-10-11(4-8)16-12(15-10)9-5-13-7-14-6-9/h2-7H,1H3,(H,15,16)
InChIKeyOOZPZLYDQCIOIK-UHFFFAOYSA-N
XLogP2.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
methane;4-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 159476815
2-(4-methoxy-3,5-dimethylphenyl)-6-methyl-1H-benzimidazole
CID 146582271
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
6-methyl-2-(4-methylsulfonylphenyl)-1H-benzimidazole
CID 60979057
6-methyl-2-(3-methylimidazol-4-yl)-1H-benzimidazole
CID 103511214
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole?
The IUPAC name of 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole (CID 102922101) is 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole is Cc1ccc2nc(-c3cncnc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole?
The InChIKey is OOZPZLYDQCIOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4/c1-8-2-3-10-11(4-8)16-12(15-10)9-5-13-7-14-6-9/h2-7H,1H3,(H,15,16).
What are the key properties of 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole?
6-methyl-2-pyrimidin-5-yl-1H-benzimidazole has a molecular weight of 210.24 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyrimidin-5-yl-1H-benzimidazole is sourced from PubChem (CID 102922101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).