3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one

C19H23N5O — CID 159744558

IUPAC3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)C1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C19H23N5O/c25-18(5-6-19-22-16-3-1-2-4-17(16)23-19)14-7-9-24(10-8-14)12-15-11-20-13-21-15/h1-4,11,13-14H,5-10,12H2,(H,20,21)(H,22,23)
InChIKeyNCWNJAIRMTVVCW-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.70
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one

3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one (PubChem CID 159744558) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one
PubChem CID159744558
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)C1CCN(Cc2cnc[nH]2)CC1
InChIInChI=1S/C19H23N5O/c25-18(5-6-19-22-16-3-1-2-4-17(16)23-19)14-7-9-24(10-8-14)12-15-11-20-13-21-15/h1-4,11,13-14H,5-10,12H2,(H,20,21)(H,22,23)
InChIKeyNCWNJAIRMTVVCW-UHFFFAOYSA-N
XLogP2.70
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[3-(1H-benzimidazol-2-yl)propanoyl]-2-methylpiperidine-4-carboxylic acid
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1-N-[3-(1H-benzimidazol-2-yl)propyl]piperidine-1,4-dicarboxamide
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[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-(2-hydroxycyclopentyl)methanone
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1-acetyl-N-[2-(1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one (CID 159744558) is 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one is O=C(CCc1nc2ccccc2[nH]1)C1CCN(Cc2cnc[nH]2)CC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one?
The InChIKey is NCWNJAIRMTVVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c25-18(5-6-19-22-16-3-1-2-4-17(16)23-19)14-7-9-24(10-8-14)12-15-11-20-13-21-15/h1-4,11,13-14H,5-10,12H2,(H,20,21)(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one?
3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one has a molecular weight of 337.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 159744558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).