2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole

C20H21N7 — CID 71547543

IUPAC2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole
SMILESCc1nc(C2CC2c2nc3c(C)cccc3[nH]2)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C20H21N7/c1-10-6-5-7-16-19(10)25-20(24-16)15-8-14(15)17-9-18(23-11(2)22-17)27-13(4)21-12(3)26-27/h5-7,9,14-15H,8H2,1-4H3,(H,24,25)
InChIKeyPYWIEKFTRDCAEO-UHFFFAOYSA-N
MW359.44 g/mol
LogP3.44
Rot. Bonds3

About 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole

2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole (PubChem CID 71547543) has the molecular formula C20H21N7 and a molecular weight of 359.44 g/mol. Its IUPAC name is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole
PubChem CID71547543
Molecular FormulaC20H21N7
Molecular Weight359.44 g/mol
Exact Mass359.19
IUPAC Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole
SMILESCc1nc(C2CC2c2nc3c(C)cccc3[nH]2)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C20H21N7/c1-10-6-5-7-16-19(10)25-20(24-16)15-8-14(15)17-9-18(23-11(2)22-17)27-13(4)21-12(3)26-27/h5-7,9,14-15H,8H2,1-4H3,(H,24,25)
InChIKeyPYWIEKFTRDCAEO-UHFFFAOYSA-N
XLogP3.44
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole?
The IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole (CID 71547543) is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole?
The canonical SMILES for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole is Cc1nc(C2CC2c2nc3c(C)cccc3[nH]2)cc(-n2nc(C)nc2C)n1.
What is the InChIKey of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole?
The InChIKey is PYWIEKFTRDCAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-10-6-5-7-16-19(10)25-20(24-16)15-8-14(15)17-9-18(23-11(2)22-17)27-13(4)21-12(3)26-27/h5-7,9,14-15H,8H2,1-4H3,(H,24,25).
What are the key properties of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole?
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole has a molecular weight of 359.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole is sourced from PubChem (CID 71547543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).