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

C19H19N7 — CID 166910996

IUPAC2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole
SMILESCc1nc(C2C[C@H]2c2nc3ccccc3[nH]2)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C19H19N7/c1-10-21-17(9-18(22-10)26-12(3)20-11(2)25-26)13-8-14(13)19-23-15-6-4-5-7-16(15)24-19/h4-7,9,13-14H,8H2,1-3H3,(H,23,24)/t13?,14-/m1/s1
InChIKeyZTLVEGLVKIXHIK-ARLHGKGLSA-N
MW345.41 g/mol
LogP3.13
Rot. Bonds3

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

2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole (PubChem CID 166910996) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole
PubChem CID166910996
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole
SMILESCc1nc(C2C[C@H]2c2nc3ccccc3[nH]2)cc(-n2nc(C)nc2C)n1
InChIInChI=1S/C19H19N7/c1-10-21-17(9-18(22-10)26-12(3)20-11(2)25-26)13-8-14(13)19-23-15-6-4-5-7-16(15)24-19/h4-7,9,13-14H,8H2,1-3H3,(H,23,24)/t13?,14-/m1/s1
InChIKeyZTLVEGLVKIXHIK-ARLHGKGLSA-N
XLogP3.13
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole
CID 71547547
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methylimidazo[1,2-a]pyridine
CID 90157772
2-[(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-(pyridin-4-ylmethyl)benzimidazole
CID 71547786
2-[(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-(pyridin-2-ylmethyl)benzimidazole
CID 71547783
3-[6-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-2-methylpyrimidin-4-yl]cyclobutan-1-amine
CID 91760537
2-[(1R,2R)-2-[6-[5-(methoxymethyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 71548049
2-[(1R,2R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 71547705
2-[(1S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 90381595
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-methyl-1-[5-methyl-2-[2-methyl-6-[(1R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]propan-1-ol
CID 118423608
2-[(1S,2S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 90381596

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole?
The IUPAC name of 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole (CID 166910996) is 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole?
The canonical SMILES for 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole is Cc1nc(C2C[C@H]2c2nc3ccccc3[nH]2)cc(-n2nc(C)nc2C)n1.
What is the InChIKey of 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole?
The InChIKey is ZTLVEGLVKIXHIK-ARLHGKGLSA-N. The full InChI is InChI=1S/C19H19N7/c1-10-21-17(9-18(22-10)26-12(3)20-11(2)25-26)13-8-14(13)19-23-15-6-4-5-7-16(15)24-19/h4-7,9,13-14H,8H2,1-3H3,(H,23,24)/t13?,14-/m1/s1.
What are the key properties of 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole?
2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole has a molecular weight of 345.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1H-benzimidazole is sourced from PubChem (CID 166910996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).