[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone

C20H23N5O — CID 86284901

IUPAC[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
SMILESCc1nc(CC(C)C)cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C20H23N5O/c1-12(2)8-15-9-18(22-13(3)21-15)20(26)25-10-14(11-25)19-23-16-6-4-5-7-17(16)24-19/h4-7,9,12,14H,8,10-11H2,1-3H3,(H,23,24)
InChIKeyKLGYCWWRPWCSIM-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.10
Rot. Bonds4

About [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone (PubChem CID 86284901) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
PubChem CID86284901
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
SMILESCc1nc(CC(C)C)cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)n1
InChIInChI=1S/C20H23N5O/c1-12(2)8-15-9-18(22-13(3)21-15)20(26)25-10-14(11-25)19-23-16-6-4-5-7-17(16)24-19/h4-7,9,12,14H,8,10-11H2,1-3H3,(H,23,24)
InChIKeyKLGYCWWRPWCSIM-UHFFFAOYSA-N
XLogP3.10
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 90505795
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-tert-butylphenyl)methanone
CID 90505686
2-[1-(2-methylpropyl)azetidin-3-yl]-1H-benzimidazole
CID 66763355
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-chlorophenyl)methanone
CID 90505704
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(3-hydroxyphenyl)methanone
CID 155947898
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(2-bromophenyl)methanone
CID 90505707
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 90505803
2-(5-amino-3-methylpyrazol-1-yl)-1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]ethanone
CID 77097499
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-(4-chloro-1,3-dimethylpyrazol-5-yl)methanone
CID 119061831
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
CID 91946817
N-[1-[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 90650377
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 70738252

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone (CID 86284901) is [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone is Cc1nc(CC(C)C)cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)n1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The InChIKey is KLGYCWWRPWCSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12(2)8-15-9-18(22-13(3)21-15)20(26)25-10-14(11-25)19-23-16-6-4-5-7-17(16)24-19/h4-7,9,12,14H,8,10-11H2,1-3H3,(H,23,24).
What are the key properties of [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
[3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone has a molecular weight of 349.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)azetidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 86284901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).