1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

C20H23N5O — CID 72870241

IUPAC1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCCC(Cc3nc4ccccc4[nH]3)C2)nc1C
InChIInChI=1S/C20H23N5O/c1-13-16(14(2)26)11-21-20(22-13)25-9-5-6-15(12-25)10-19-23-17-7-3-4-8-18(17)24-19/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,23,24)
InChIKeyWCZIHQNZIMCBEF-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.32
Rot. Bonds4

About 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone

1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 72870241) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
PubChem CID72870241
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N2CCCC(Cc3nc4ccccc4[nH]3)C2)nc1C
InChIInChI=1S/C20H23N5O/c1-13-16(14(2)26)11-21-20(22-13)25-9-5-6-15(12-25)10-19-23-17-7-3-4-8-18(17)24-19/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,23,24)
InChIKeyWCZIHQNZIMCBEF-UHFFFAOYSA-N
XLogP3.32
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 91771611
2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 72917014
2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 97453733
5-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 146041840
1-[3-[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidine-1-carbonyl]phenyl]ethanone
CID 97126619
4-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 95880816
6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
CID 72851412
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 96580580
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 95227399
[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
CID 70781186
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(1-ethyl-2,5-dimethylpyrrol-3-yl)methanone
CID 97145071

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone (CID 72870241) is 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(N2CCCC(Cc3nc4ccccc4[nH]3)C2)nc1C.
What is the InChIKey of 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is WCZIHQNZIMCBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-16(14(2)26)11-21-20(22-13)25-9-5-6-15(12-25)10-19-23-17-7-3-4-8-18(17)24-19/h3-4,7-8,11,15H,5-6,9-10,12H2,1-2H3,(H,23,24).
What are the key properties of 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 72870241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).