ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole

C15H18N4 — CID 90736229

IUPACethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole
SMILESCC.Cc1nccc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C13H12N4.C2H6/c1-9-14-8-7-13(15-9)17-10(2)16-11-5-3-4-6-12(11)17;1-2/h3-8H,1-2H3;1-2H3
InChIKeySCHUJVZQZJWHBW-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.46
Rot. Bonds1

About ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole

ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole (PubChem CID 90736229) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole.

Molecular Properties

Compound Nameethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole
PubChem CID90736229
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Nameethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole
SMILESCC.Cc1nccc(-n2c(C)nc3ccccc32)n1
InChIInChI=1S/C13H12N4.C2H6/c1-9-14-8-7-13(15-9)17-10(2)16-11-5-3-4-6-12(11)17;1-2/h3-8H,1-2H3;1-2H3
InChIKeySCHUJVZQZJWHBW-UHFFFAOYSA-N
XLogP3.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
CID 58979572
2-(2-methylbenzimidazol-1-yl)quinoxaline
CID 79751969
ethane;2-methyl-1-(6-methylpyrimidin-4-yl)benzimidazole
CID 91611201
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
2-methyl-1-(4-methylpyrimidin-2-yl)benzimidazole
CID 79754202
2-methyl-1-(5-methyl-2-pyridinyl)benzimidazole
CID 79753476
1-(6-methoxy-2-pyridinyl)-2-methylbenzimidazole
CID 79754204
1-(3-bromo-2-pyridinyl)-2-methylbenzimidazole
CID 79753555
1-(2-bromophenyl)-2-methylbenzimidazole
CID 168938830
6-(2-methylbenzimidazol-1-yl)-3-nitropyridin-2-amine
CID 79828151
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)-6-(2-methylindol-1-yl)-4-pyridinyl]benzimidazole
CID 58625626
1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
CID 22507050

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole?
The IUPAC name of ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole (CID 90736229) is ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole.
What is the SMILES notation for ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole?
The canonical SMILES for ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole is CC.Cc1nccc(-n2c(C)nc3ccccc32)n1.
What is the InChIKey of ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole?
The InChIKey is SCHUJVZQZJWHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4.C2H6/c1-9-14-8-7-13(15-9)17-10(2)16-11-5-3-4-6-12(11)17;1-2/h3-8H,1-2H3;1-2H3.
What are the key properties of ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole?
ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole has a molecular weight of 254.34 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1-(2-methylpyrimidin-4-yl)benzimidazole is sourced from PubChem (CID 90736229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).