[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone

C20H24N6O — CID 91946817

IUPAC[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)nc(N(C)C)n1
InChIInChI=1S/C20H24N6O/c1-13-11-17(24-20(21-13)25(2)3)19(27)26-10-6-7-14(12-26)18-22-15-8-4-5-9-16(15)23-18/h4-5,8-9,11,14H,6-7,10,12H2,1-3H3,(H,22,23)
InChIKeyYKOWSRLFDBBKKR-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.75
Rot. Bonds3

About [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone (PubChem CID 91946817) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
PubChem CID91946817
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)nc(N(C)C)n1
InChIInChI=1S/C20H24N6O/c1-13-11-17(24-20(21-13)25(2)3)19(27)26-10-6-7-14(12-26)18-22-15-8-4-5-9-16(15)23-18/h4-5,8-9,11,14H,6-7,10,12H2,1-3H3,(H,22,23)
InChIKeyYKOWSRLFDBBKKR-UHFFFAOYSA-N
XLogP2.75
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-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)piperidin-1-yl]-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-5-yl)methanone
CID 70738252
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-1,2,4-benzotriazin-3-yl)methanone
CID 91946798
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 91946785
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 25352744
methyl 3-(1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 110404102
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 46509091
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110258855
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202
1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2,2,2-trifluoroethanone
CID 94811323
2-[3-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-methylpyrazol-5-yl]oxy-N,N-dimethylacetamide
CID 91946801
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone (CID 91946817) is [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone is Cc1cc(C(=O)N2CCCC(c3nc4ccccc4[nH]3)C2)nc(N(C)C)n1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone?
The InChIKey is YKOWSRLFDBBKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13-11-17(24-20(21-13)25(2)3)19(27)26-10-6-7-14(12-26)18-22-15-8-4-5-9-16(15)23-18/h4-5,8-9,11,14H,6-7,10,12H2,1-3H3,(H,22,23).
What are the key properties of [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone?
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone has a molecular weight of 364.45 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-6-methylpyrimidin-4-yl]methanone is sourced from PubChem (CID 91946817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).