N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide

C15H21N5O2 — CID 10590554

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCN1CCN(CCNC(=O)n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C15H21N5O2/c1-18-8-10-19(11-9-18)7-6-16-14(21)20-13-5-3-2-4-12(13)17-15(20)22/h2-5H,6-11H2,1H3,(H,16,21)(H,17,22)
InChIKeyHFFWBXWVOSTHSU-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.13
Rot. Bonds3

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide (PubChem CID 10590554) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide
PubChem CID10590554
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide
SMILESCN1CCN(CCNC(=O)n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C15H21N5O2/c1-18-8-10-19(11-9-18)7-6-16-14(21)20-13-5-3-2-4-12(13)17-15(20)22/h2-5H,6-11H2,1H3,(H,16,21)(H,17,22)
InChIKeyHFFWBXWVOSTHSU-UHFFFAOYSA-N
XLogP0.13
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide (CID 10590554) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide is CN1CCN(CCNC(=O)n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide?
The InChIKey is HFFWBXWVOSTHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-18-8-10-19(11-9-18)7-6-16-14(21)20-13-5-3-2-4-12(13)17-15(20)22/h2-5H,6-11H2,1H3,(H,16,21)(H,17,22).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3H-benzimidazole-1-carboxamide is sourced from PubChem (CID 10590554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).