3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide

C17H25N5O2 — CID 10664258

IUPAC3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide
SMILESCCn1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C17H25N5O2/c1-3-21-14-6-4-5-7-15(14)22(17(21)24)16(23)18-8-9-20-12-10-19(2)11-13-20/h4-7H,3,8-13H2,1-2H3,(H,18,23)
InChIKeyRARPXJOWWOXKNP-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.63
Rot. Bonds4

About 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide

3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide (PubChem CID 10664258) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide
PubChem CID10664258
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide
SMILESCCn1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C17H25N5O2/c1-3-21-14-6-4-5-7-15(14)22(17(21)24)16(23)18-8-9-20-12-10-19(2)11-13-20/h4-7H,3,8-13H2,1-2H3,(H,18,23)
InChIKeyRARPXJOWWOXKNP-UHFFFAOYSA-N
XLogP0.63
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide 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 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide (CID 10664258) is 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide is CCn1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2ccccc21.
What is the InChIKey of 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide?
The InChIKey is RARPXJOWWOXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-3-21-14-6-4-5-7-15(14)22(17(21)24)16(23)18-8-9-20-12-10-19(2)11-13-20/h4-7H,3,8-13H2,1-2H3,(H,18,23).
What are the key properties of 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide?
3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 10664258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).