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

C23H22N4O — CID 45488156

IUPAC[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone
SMILESCN1CCN(c2cccc3[nH]c(C(=O)c4ccc5ccccc5c4)nc23)CC1
InChIInChI=1S/C23H22N4O/c1-26-11-13-27(14-12-26)20-8-4-7-19-21(20)25-23(24-19)22(28)18-10-9-16-5-2-3-6-17(16)15-18/h2-10,15H,11-14H2,1H3,(H,24,25)
InChIKeyPTBOVUSHOQDOMK-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.70
Rot. Bonds3

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

[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone (PubChem CID 45488156) 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-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone
PubChem CID45488156
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone
SMILESCN1CCN(c2cccc3[nH]c(C(=O)c4ccc5ccccc5c4)nc23)CC1
InChIInChI=1S/C23H22N4O/c1-26-11-13-27(14-12-26)20-8-4-7-19-21(20)25-23(24-19)22(28)18-10-9-16-5-2-3-6-17(16)15-18/h2-10,15H,11-14H2,1H3,(H,24,25)
InChIKeyPTBOVUSHOQDOMK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone?
The IUPAC name of [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone (CID 45488156) is [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone is CN1CCN(c2cccc3[nH]c(C(=O)c4ccc5ccccc5c4)nc23)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone?
The InChIKey is PTBOVUSHOQDOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-26-11-13-27(14-12-26)20-8-4-7-19-21(20)25-23(24-19)22(28)18-10-9-16-5-2-3-6-17(16)15-18/h2-10,15H,11-14H2,1H3,(H,24,25).
What are the key properties of [4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-ylmethanone?
[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-naphthalen-2-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-2-ylmethanone is sourced from PubChem (CID 45488156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).