[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone

C23H22N4O — CID 45488152

IUPAC[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone
SMILESCN1CCN(c2cccc3[nH]c(C(=O)c4cccc5ccccc45)nc23)CC1
InChIInChI=1S/C23H22N4O/c1-26-12-14-27(15-13-26)20-11-5-10-19-21(20)25-23(24-19)22(28)18-9-4-7-16-6-2-3-8-17(16)18/h2-11H,12-15H2,1H3,(H,24,25)
InChIKeyRWYIFLFDQKYUEK-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.70
Rot. Bonds3

About [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone

[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone (PubChem CID 45488152) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone
PubChem CID45488152
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone
SMILESCN1CCN(c2cccc3[nH]c(C(=O)c4cccc5ccccc45)nc23)CC1
InChIInChI=1S/C23H22N4O/c1-26-12-14-27(15-13-26)20-11-5-10-19-21(20)25-23(24-19)22(28)18-9-4-7-16-6-2-3-8-17(16)18/h2-11H,12-15H2,1H3,(H,24,25)
InChIKeyRWYIFLFDQKYUEK-UHFFFAOYSA-N
XLogP3.70
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone (CID 45488152) is [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone is CN1CCN(c2cccc3[nH]c(C(=O)c4cccc5ccccc45)nc23)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone?
The InChIKey is RWYIFLFDQKYUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26-12-14-27(15-13-26)20-11-5-10-19-21(20)25-23(24-19)22(28)18-9-4-7-16-6-2-3-8-17(16)18/h2-11H,12-15H2,1H3,(H,24,25).
What are the key properties of [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone?
[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone has a molecular weight of 370.46 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-1-ylmethanone is sourced from PubChem (CID 45488152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).