1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

C24H27N9O — CID 71549134

IUPAC1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2CN2CCCC2=O)n1
InChIInChI=1S/C24H27N9O/c1-15-25-20(32-12-17(13-32)24-28-18-7-4-5-8-19(18)30(24)3)11-21(26-15)33-22(27-16(2)29-33)14-31-10-6-9-23(31)34/h4-5,7-8,11,17H,6,9-10,12-14H2,1-3H3
InChIKeyUVSZVCBDDAXJGW-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.29
Rot. Bonds5

About 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one (PubChem CID 71549134) has the molecular formula C24H27N9O and a molecular weight of 457.54 g/mol. Its IUPAC name is 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
PubChem CID71549134
Molecular FormulaC24H27N9O
Molecular Weight457.54 g/mol
Exact Mass457.23
IUPAC Name1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one
SMILESCc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2CN2CCCC2=O)n1
InChIInChI=1S/C24H27N9O/c1-15-25-20(32-12-17(13-32)24-28-18-7-4-5-8-19(18)30(24)3)11-21(26-15)33-22(27-16(2)29-33)14-31-10-6-9-23(31)34/h4-5,7-8,11,17H,6,9-10,12-14H2,1-3H3
InChIKeyUVSZVCBDDAXJGW-UHFFFAOYSA-N
XLogP2.29
TPSA97.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

FTase Inhibitor III
CID 156595851
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CID 59605535
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(2S)-2-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl]ethanone
CID 138857397
1-[[1-(3-methylbutyl)benzimidazol-2-yl]methyl]-3-[4-(2H-tetrazol-5-yl)butyl]benzimidazol-2-one
CID 23551340
1-prop-1-en-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 23551358
1-prop-1-en-2-yl-3-[[1-[3-(2H-tetrazol-5-yl)propyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 23551363
1-propan-2-yl-3-[[1-[2-(2H-tetrazol-5-yl)ethyl]benzimidazol-2-yl]methyl]benzimidazol-2-one
CID 23551367
2-[1-[6-[5-[(2,5-Difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 71533682
trans-4-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)-6-(2-(1-methyl-1H-benzo[d]imidazol-2-yl)cyclopropyl)pyrimidine-2-carbonitrile
CID 71547617
2-[(1S,2S)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 71547874
2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
CID 71548050
1-Methyl-2-[1-[2-methyl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
CID 71548698

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one (CID 71549134) is 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one is Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2CN2CCCC2=O)n1.
What is the InChIKey of 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is UVSZVCBDDAXJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O/c1-15-25-20(32-12-17(13-32)24-28-18-7-4-5-8-19(18)30(24)3)11-21(26-15)33-22(27-16(2)29-33)14-31-10-6-9-23(31)34/h4-5,7-8,11,17H,6,9-10,12-14H2,1-3H3.
What are the key properties of 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one?
1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 457.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 71549134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).