[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone

C19H20N4O — CID 45488171

IUPAC[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
SMILESCN1CCN(c2ccc3nc(C(=O)c4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C19H20N4O/c1-22-9-11-23(12-10-22)15-7-8-16-17(13-15)21-19(20-16)18(24)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyROBSAPBLDQSRBH-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.55
Rot. Bonds3

About [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone

[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone (PubChem CID 45488171) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
PubChem CID45488171
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
SMILESCN1CCN(c2ccc3nc(C(=O)c4ccccc4)[nH]c3c2)CC1
InChIInChI=1S/C19H20N4O/c1-22-9-11-23(12-10-22)15-7-8-16-17(13-15)21-19(20-16)18(24)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,21)
InChIKeyROBSAPBLDQSRBH-UHFFFAOYSA-N
XLogP2.55
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone 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 [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone?
The IUPAC name of [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone (CID 45488171) is [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone.
What is the SMILES notation for [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone?
The canonical SMILES for [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone is CN1CCN(c2ccc3nc(C(=O)c4ccccc4)[nH]c3c2)CC1.
What is the InChIKey of [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone?
The InChIKey is ROBSAPBLDQSRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-9-11-23(12-10-22)15-7-8-16-17(13-15)21-19(20-16)18(24)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,20,21).
What are the key properties of [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone?
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone has a molecular weight of 320.40 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone is sourced from PubChem (CID 45488171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).