2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole

C22H24N6 — CID 123716868

IUPAC2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole
SMILESCc1nc(C)n(-c2cc(C3CC3c3nc4ccccc4n3C)c(C)c(C)n2)n1
InChIInChI=1S/C22H24N6/c1-12-13(2)23-21(28-15(4)24-14(3)26-28)11-16(12)17-10-18(17)22-25-19-8-6-7-9-20(19)27(22)5/h6-9,11,17-18H,10H2,1-5H3
InChIKeyQJIUMROVQGEXDJ-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.05
Rot. Bonds3

About 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole

2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole (PubChem CID 123716868) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole
PubChem CID123716868
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole
SMILESCc1nc(C)n(-c2cc(C3CC3c3nc4ccccc4n3C)c(C)c(C)n2)n1
InChIInChI=1S/C22H24N6/c1-12-13(2)23-21(28-15(4)24-14(3)26-28)11-16(12)17-10-18(17)22-25-19-8-6-7-9-20(19)27(22)5/h6-9,11,17-18H,10H2,1-5H3
InChIKeyQJIUMROVQGEXDJ-UHFFFAOYSA-N
XLogP4.05
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-methyl-6-[(2S)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-2-amine
CID 90381629
2-[(1S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfanylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 90381595
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,2S)-2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-pyrrolidin-1-ylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 90381596
2-[(1S)-2-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-methyl-2-pyridinyl]cyclopropyl]-1-methylbenzimidazole
CID 90381651
4-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-[(1R,2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-2-yl]morpholine
CID 89486933
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
(1S)-1-[5-methyl-2-[2-methyl-6-[(2R)-2-(1-methylbenzimidazol-2-yl)cyclopropyl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]ethanol
CID 118423208
2-[1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 90386717
2-[2-[6-[5-(methoxymethyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 78107391
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-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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole?
The IUPAC name of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole (CID 123716868) is 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole is Cc1nc(C)n(-c2cc(C3CC3c3nc4ccccc4n3C)c(C)c(C)n2)n1.
What is the InChIKey of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole?
The InChIKey is QJIUMROVQGEXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-12-13(2)23-21(28-15(4)24-14(3)26-28)11-16(12)17-10-18(17)22-25-19-8-6-7-9-20(19)27(22)5/h6-9,11,17-18H,10H2,1-5H3.
What are the key properties of 2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole?
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole has a molecular weight of 372.48 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 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)-2,3-dimethyl-4-pyridinyl]cyclopropyl]-1-methylbenzimidazole is sourced from PubChem (CID 123716868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).