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

C22H20N4O — CID 45488151

IUPACnaphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1nc2c(N3CCNCC3)cccc2[nH]1)c1cccc2ccccc12
InChIInChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25)
InChIKeyYOHBTWUHPBXBAS-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.36
Rot. Bonds3

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

naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone (PubChem CID 45488151) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
PubChem CID45488151
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Namenaphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone
SMILESO=C(c1nc2c(N3CCNCC3)cccc2[nH]1)c1cccc2ccccc12
InChIInChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25)
InChIKeyYOHBTWUHPBXBAS-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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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone?
The IUPAC name of naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone (CID 45488151) is naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone is O=C(c1nc2c(N3CCNCC3)cccc2[nH]1)c1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone?
The InChIKey is YOHBTWUHPBXBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c27-21(17-8-3-6-15-5-1-2-7-16(15)17)22-24-18-9-4-10-19(20(18)25-22)26-13-11-23-12-14-26/h1-10,23H,11-14H2,(H,24,25).
What are the key properties of naphthalen-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone?
naphthalen-1-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-1-yl-(4-piperazin-1-yl-1H-benzimidazol-2-yl)methanone is sourced from PubChem (CID 45488151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).