1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole

C14H14N4 — CID 116903947

IUPAC1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole
SMILESCc1nccc(-c2ccc3c(c2)nc(C)n3C)n1
InChIInChI=1S/C14H14N4/c1-9-15-7-6-12(16-9)11-4-5-14-13(8-11)17-10(2)18(14)3/h4-8H,1-3H3
InChIKeyRROWEPNXNPPMQV-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.65
Rot. Bonds1

About 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole

1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole (PubChem CID 116903947) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole
PubChem CID116903947
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole
SMILESCc1nccc(-c2ccc3c(c2)nc(C)n3C)n1
InChIInChI=1S/C14H14N4/c1-9-15-7-6-12(16-9)11-4-5-14-13(8-11)17-10(2)18(14)3/h4-8H,1-3H3
InChIKeyRROWEPNXNPPMQV-UHFFFAOYSA-N
XLogP2.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-2-carbaldehyde
CID 116900267
1-methyl-6-(2-methylpyrimidin-4-yl)indole
CID 175860551
4-(1,2-dimethylbenzimidazol-5-yl)-N-methyl-1,3-thiazol-2-amine
CID 82500092
2-methyl-4-(2-methyl-4-pyridinyl)pyrimidine
CID 71302575
1,2-dimethylbenzimidazole-5-thiol
CID 83529809
2-[4-(1,2-dimethylbenzimidazol-5-yl)-1,3-thiazol-2-yl]acetonitrile
CID 116966293
[2-(1,2-dimethylbenzimidazol-5-yl)imidazo[1,2-a]pyridin-6-yl]methanol
CID 95967180
5-[4-[6-[4-(1,2-dimethylbenzimidazol-5-yl)phenyl]-9,10-diphenylanthracen-2-yl]phenyl]-1,2-dimethylbenzimidazole
CID 58953632
5-(1,2-dimethylbenzimidazol-5-yl)furan-2-carbaldehyde
CID 169334354
5-(9,10-diphenylanthracen-2-yl)-1,2-dimethylbenzimidazole
CID 58953715
2-(1,2-dimethylbenzimidazol-5-yl)ethynyl-trimethylsilane
CID 162381740
4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile
CID 116865150

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole?
The IUPAC name of 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole (CID 116903947) is 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole.
What is the SMILES notation for 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole?
The canonical SMILES for 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole is Cc1nccc(-c2ccc3c(c2)nc(C)n3C)n1.
What is the InChIKey of 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole?
The InChIKey is RROWEPNXNPPMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9-15-7-6-12(16-9)11-4-5-14-13(8-11)17-10(2)18(14)3/h4-8H,1-3H3.
What are the key properties of 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole?
1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole has a molecular weight of 238.29 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-(2-methylpyrimidin-4-yl)benzimidazole is sourced from PubChem (CID 116903947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).