1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone

C21H22N4O2 — CID 34838428

IUPAC1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-22-19-14-17(21(27)24-12-10-23(11-13-24)16(2)26)8-9-20(19)25(15)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3
InChIKeyMZWIECARMQDWNP-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.64
Rot. Bonds2

About 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone

1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone (PubChem CID 34838428) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
PubChem CID34838428
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-22-19-14-17(21(27)24-12-10-23(11-13-24)16(2)26)8-9-20(19)25(15)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3
InChIKeyMZWIECARMQDWNP-UHFFFAOYSA-N
XLogP2.64
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone 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 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone (CID 34838428) is 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is MZWIECARMQDWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-22-19-14-17(21(27)24-12-10-23(11-13-24)16(2)26)8-9-20(19)25(15)18-6-4-3-5-7-18/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone?
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 362.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 34838428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).