naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone

C22H20N4O — CID 46239553

IUPACnaphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1nc2c(N3CCNCC3)cccc2[nH]1
InChIInChI=1S/C22H20N4O/c27-21(17-9-8-15-4-1-2-5-16(15)14-17)22-24-18-6-3-7-19(20(18)25-22)26-12-10-23-11-13-26/h1-9,14,23H,10-13H2,(H,24,25)
InChIKeyXZTDWCYCOFZWON-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.36
Rot. Bonds3

About naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone

naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone (PubChem CID 46239553) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Namenaphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
PubChem CID46239553
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Namenaphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1ccc2ccccc2c1)c1nc2c(N3CCNCC3)cccc2[nH]1
InChIInChI=1S/C22H20N4O/c27-21(17-9-8-15-4-1-2-5-16(15)14-17)22-24-18-6-3-7-19(20(18)25-22)26-12-10-23-11-13-26/h1-9,14,23H,10-13H2,(H,24,25)
InChIKeyXZTDWCYCOFZWON-UHFFFAOYSA-N
XLogP3.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone
CID 45488156
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225
8-piperazin-1-ylquinoline-3-carboxamide
CID 154407057
2-[4-(4-piperazin-1-yl-1H-benzimidazol-2-yl)piperidin-1-yl]acetic acid
CID 18783850
dinaphthalen-2-ylmethanone
CID 10945915
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
2-(4-tert-butylphenyl)-4-piperazin-1-yl-1H-benzimidazole;ethane
CID 143169118
2-cyclopropyl-8-piperazin-1-ylquinoline-3-carboxamide
CID 140866616
4-piperazin-1-yl-1H-benzimidazole;trihydrobromide
CID 3069489
1-naphthalen-2-yl-2-piperazin-1-ylpropan-1-one
CID 116924119
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
3-(benzenesulfonyl)-8-piperazin-1-ylquinoline
CID 11256720

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone?
The IUPAC name of naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone (CID 46239553) is naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone is O=C(c1ccc2ccccc2c1)c1nc2c(N3CCNCC3)cccc2[nH]1.
What is the InChIKey of naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone?
The InChIKey is XZTDWCYCOFZWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21(17-9-8-15-4-1-2-5-16(15)14-17)22-24-18-6-3-7-19(20(18)25-22)26-12-10-23-11-13-26/h1-9,14,23H,10-13H2,(H,24,25).
What are the key properties of naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone?
naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone has a molecular weight of 356.43 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 46239553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).