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

C19H29N5O2 — CID 10546395

IUPAC3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
SMILESCCCN1CCN(CCNC(=O)n2c(=O)n(CC)c3ccccc32)CC1
InChIInChI=1S/C19H29N5O2/c1-3-10-21-12-14-22(15-13-21)11-9-20-18(25)24-17-8-6-5-7-16(17)23(4-2)19(24)26/h5-8H,3-4,9-15H2,1-2H3,(H,20,25)
InChIKeyFTEUKQAUVHDQHU-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.41
Rot. Bonds6

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

3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide (PubChem CID 10546395) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
PubChem CID10546395
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide
SMILESCCCN1CCN(CCNC(=O)n2c(=O)n(CC)c3ccccc32)CC1
InChIInChI=1S/C19H29N5O2/c1-3-10-21-12-14-22(15-13-21)11-9-20-18(25)24-17-8-6-5-7-16(17)23(4-2)19(24)26/h5-8H,3-4,9-15H2,1-2H3,(H,20,25)
InChIKeyFTEUKQAUVHDQHU-UHFFFAOYSA-N
XLogP1.41
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide?
The IUPAC name of 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide (CID 10546395) is 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide.
What is the SMILES notation for 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide?
The canonical SMILES for 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide is CCCN1CCN(CCNC(=O)n2c(=O)n(CC)c3ccccc32)CC1.
What is the InChIKey of 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide?
The InChIKey is FTEUKQAUVHDQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-3-10-21-12-14-22(15-13-21)11-9-20-18(25)24-17-8-6-5-7-16(17)23(4-2)19(24)26/h5-8H,3-4,9-15H2,1-2H3,(H,20,25).
What are the key properties of 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide?
3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-N-[2-(4-propylpiperazin-1-yl)ethyl]benzimidazole-1-carboxamide is sourced from PubChem (CID 10546395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).