[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone

C19H21N5OS — CID 70734781

IUPAC[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
SMILESCSc1ncc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cn1
InChIInChI=1S/C19H21N5OS/c1-12-4-3-5-15-16(12)23-17(22-15)13-6-8-24(9-7-13)18(25)14-10-20-19(26-2)21-11-14/h3-5,10-11,13H,6-9H2,1-2H3,(H,22,23)
InChIKeyBYRJKVAXDKQWPN-UHFFFAOYSA-N
MW367.48 g/mol
LogP3.40
Rot. Bonds3

About [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone

[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone (PubChem CID 70734781) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
PubChem CID70734781
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
SMILESCSc1ncc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cn1
InChIInChI=1S/C19H21N5OS/c1-12-4-3-5-15-16(12)23-17(22-15)13-6-8-24(9-7-13)18(25)14-10-20-19(26-2)21-11-14/h3-5,10-11,13H,6-9H2,1-2H3,(H,22,23)
InChIKeyBYRJKVAXDKQWPN-UHFFFAOYSA-N
XLogP3.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70768059
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72907250
2-hydroxy-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 72931914
3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 72856082
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70746403
5-chloro-3-[4-(4-methyl-1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 72868363
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 56753993
2-(3-hydroxypiperidin-1-yl)-1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
CID 72907509
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 44565605
1-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-morpholin-2-ylethanone
CID 70711639
[(1S,3R,4R)-3-amino-4-methoxycyclohexyl]-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 154817199

Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone (CID 70734781) is [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone is CSc1ncc(C(=O)N2CCC(c3nc4c(C)cccc4[nH]3)CC2)cn1.
What is the InChIKey of [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
The InChIKey is BYRJKVAXDKQWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-4-3-5-15-16(12)23-17(22-15)13-6-8-24(9-7-13)18(25)14-10-20-19(26-2)21-11-14/h3-5,10-11,13H,6-9H2,1-2H3,(H,22,23).
What are the key properties of [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone?
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone has a molecular weight of 367.48 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone is sourced from PubChem (CID 70734781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).