[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone

C22H20N4O — CID 44783449

IUPAC[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20N4O/c27-22(17-10-9-15-5-1-2-6-16(15)13-17)26-12-11-23-14-20(26)21-24-18-7-3-4-8-19(18)25-21/h1-10,13,20,23H,11-12,14H2,(H,24,25)
InChIKeyWEWXTMOHIFLJFS-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.50
Rot. Bonds2

About [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone

[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone (PubChem CID 44783449) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
PubChem CID44783449
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone
SMILESO=C(c1ccc2ccccc2c1)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C22H20N4O/c27-22(17-10-9-15-5-1-2-6-16(15)13-17)26-12-11-23-14-20(26)21-24-18-7-3-4-8-19(18)25-21/h1-10,13,20,23H,11-12,14H2,(H,24,25)
InChIKeyWEWXTMOHIFLJFS-UHFFFAOYSA-N
XLogP3.50
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 44783443
1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 44783456
4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]benzoic acid
CID 25346217
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 25388924
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 51270082
[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(4-tert-butylphenyl)methanone
CID 25388696
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 51269941
[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 97149553
2-(1-propan-2-ylpiperazin-2-yl)-1H-benzimidazole
CID 44783469
2-(1-ethylsulfonylpiperazin-2-yl)-1H-benzimidazole
CID 44783462
N-[3-[2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]phenyl]acetamide
CID 51269960
[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 51331975

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone (CID 44783449) is [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone is O=C(c1ccc2ccccc2c1)N1CCNCC1c1nc2ccccc2[nH]1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
The InChIKey is WEWXTMOHIFLJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-22(17-10-9-15-5-1-2-6-16(15)13-17)26-12-11-23-14-20(26)21-24-18-7-3-4-8-19(18)25-21/h1-10,13,20,23H,11-12,14H2,(H,24,25).
What are the key properties of [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone?
[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone has a molecular weight of 356.43 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)piperazin-1-yl]-naphthalen-2-ylmethanone is sourced from PubChem (CID 44783449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).