N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide

C25H26N6O2 — CID 74763198

IUPACN-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(N(C(C)=O)c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)cc1
InChIInChI=1S/C25H26N6O2/c1-16-26-23(13-24(27-16)31(17(2)32)19-9-11-20(33-4)12-10-19)30-14-18(15-30)25-28-21-7-5-6-8-22(21)29(25)3/h5-13,18H,14-15H2,1-4H3
InChIKeyTUBYSIPJUATATH-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.97
Rot. Bonds5

About N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide

N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide (PubChem CID 74763198) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide
PubChem CID74763198
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide
SMILESCOc1ccc(N(C(C)=O)c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)cc1
InChIInChI=1S/C25H26N6O2/c1-16-26-23(13-24(27-16)31(17(2)32)19-9-11-20(33-4)12-10-19)30-14-18(15-30)25-28-21-7-5-6-8-22(21)29(25)3/h5-13,18H,14-15H2,1-4H3
InChIKeyTUBYSIPJUATATH-UHFFFAOYSA-N
XLogP3.97
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidine-4-carboxylate
CID 169180367
2-[1-[6-[5-(methoxymethyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 71549409
4-methyl-1-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-one
CID 74762791
1-(2-hydroxyethyl)-3-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]imidazolidin-2-one
CID 74762991
1-methyl-2-[1-[2-methyl-6-(5-methyltriazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]benzimidazole
CID 89493662
(S)-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]-phenylmethanol
CID 74767416
cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 118413277
(R)-cyclohexyl-[5-methyl-2-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]-1,2,4-triazol-3-yl]methanol
CID 74767415
2-[1-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylsulfonylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 90386717
2-[4-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-2-yl]butanoic acid
CID 122444260
2-[1-[6-[5-[(2,6-difluorophenyl)methyl]-3-methyl-1,2,4-triazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-yl]-1-methylbenzimidazole
CID 122444146
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-1-methylbenzimidazole
CID 89493659

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide (CID 74763198) is N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide is COc1ccc(N(C(C)=O)c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide?
The InChIKey is TUBYSIPJUATATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-26-23(13-24(27-16)31(17(2)32)19-9-11-20(33-4)12-10-19)30-14-18(15-30)25-28-21-7-5-6-8-22(21)29(25)3/h5-13,18H,14-15H2,1-4H3.
What are the key properties of N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide?
N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N-[2-methyl-6-[3-(1-methylbenzimidazol-2-yl)azetidin-1-yl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 74763198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).