N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

C18H27N5O2 — CID 10688893

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C18H27N5O2/c1-14(2)22-15-6-4-5-7-16(15)23(18(22)25)17(24)19-8-9-21-12-10-20(3)11-13-21/h4-7,14H,8-13H2,1-3H3,(H,19,24)
InChIKeyQVSGADMNEWLGPY-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.19
Rot. Bonds4

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

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (PubChem CID 10688893) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
PubChem CID10688893
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILESCC(C)n1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2ccccc21
InChIInChI=1S/C18H27N5O2/c1-14(2)22-15-6-4-5-7-16(15)23(18(22)25)17(24)19-8-9-21-12-10-20(3)11-13-21/h4-7,14H,8-13H2,1-3H3,(H,19,24)
InChIKeyQVSGADMNEWLGPY-UHFFFAOYSA-N
XLogP1.19
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (CID 10688893) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is CC(C)n1c(=O)n(C(=O)NCCN2CCN(C)CC2)c2ccccc21.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
The InChIKey is QVSGADMNEWLGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-14(2)22-15-6-4-5-7-16(15)23(18(22)25)17(24)19-8-9-21-12-10-20(3)11-13-21/h4-7,14H,8-13H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is sourced from PubChem (CID 10688893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).