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

C20H21N7O — CID 71547547

IUPAC2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1
InChIInChI=1S/C20H21N7O/c1-10-22-17(9-19(23-10)27-12(3)21-11(2)26-27)14-8-15(14)20-24-16-6-5-13(28-4)7-18(16)25-20/h5-7,9,14-15H,8H2,1-4H3,(H,24,25)
InChIKeyXOBZSGZRUIINSE-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.14
Rot. Bonds4

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

2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole (PubChem CID 71547547) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole
PubChem CID71547547
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1
InChIInChI=1S/C20H21N7O/c1-10-22-17(9-19(23-10)27-12(3)21-11(2)26-27)14-8-15(14)20-24-16-6-5-13(28-4)7-18(16)25-20/h5-7,9,14-15H,8H2,1-4H3,(H,24,25)
InChIKeyXOBZSGZRUIINSE-UHFFFAOYSA-N
XLogP3.14
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole
CID 166910996
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-4-methyl-1H-benzimidazole
CID 71547543
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole
CID 155814611
2-[(3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-methoxy-1H-benzimidazole
CID 170441730
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
cis-(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methoxypyrimidin-4-yl]cyclopropane-1-carbaldehyde
CID 89486865
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-3-ethenylimidazo[1,2-a]pyridine
CID 118476753
2-[5-methyl-2-[2-methyl-6-[(1R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]propan-2-ol
CID 118423612
2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
CID 75131970

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]-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole (CID 71547547) is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-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]-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole is COc1ccc2nc(C3CC3c3cc(-n4nc(C)nc4C)nc(C)n3)[nH]c2c1.
What is the InChIKey of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole?
The InChIKey is XOBZSGZRUIINSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-10-22-17(9-19(23-10)27-12(3)21-11(2)26-27)14-8-15(14)20-24-16-6-5-13(28-4)7-18(16)25-20/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]-6-methoxy-1H-benzimidazole?
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole has a molecular weight of 375.44 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 71547547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).