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

C16H23N5O2 — CID 10543526

IUPAC3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide
SMILESCN1CCN(CCNC(=O)n2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C16H23N5O2/c1-18-9-11-20(12-10-18)8-7-17-15(22)21-14-6-4-3-5-13(14)19(2)16(21)23/h3-6H,7-12H2,1-2H3,(H,17,22)
InChIKeyCZHCUQQIVUYRAS-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.15
Rot. Bonds3

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

3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide (PubChem CID 10543526) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide
PubChem CID10543526
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide
SMILESCN1CCN(CCNC(=O)n2c(=O)n(C)c3ccccc32)CC1
InChIInChI=1S/C16H23N5O2/c1-18-9-11-20(12-10-18)8-7-17-15(22)21-14-6-4-3-5-13(14)19(2)16(21)23/h3-6H,7-12H2,1-2H3,(H,17,22)
InChIKeyCZHCUQQIVUYRAS-UHFFFAOYSA-N
XLogP0.15
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide (CID 10543526) is 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide is CN1CCN(CCNC(=O)n2c(=O)n(C)c3ccccc32)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide?
The InChIKey is CZHCUQQIVUYRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-18-9-11-20(12-10-18)8-7-17-15(22)21-14-6-4-3-5-13(14)19(2)16(21)23/h3-6H,7-12H2,1-2H3,(H,17,22).
What are the key properties of 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide?
3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 10543526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).