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

C21H31N5O2 — CID 10045643

IUPACN-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide
SMILESCCCCN1CCN(CCNC(=O)n2c(=O)n(C3CC3)c3ccccc32)CC1
InChIInChI=1S/C21H31N5O2/c1-2-3-11-23-13-15-24(16-14-23)12-10-22-20(27)26-19-7-5-4-6-18(19)25(21(26)28)17-8-9-17/h4-7,17H,2-3,8-16H2,1H3,(H,22,27)
InChIKeyWALCAXLVHKUXCV-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.11
Rot. Bonds7

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

N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide (PubChem CID 10045643) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide
PubChem CID10045643
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide
SMILESCCCCN1CCN(CCNC(=O)n2c(=O)n(C3CC3)c3ccccc32)CC1
InChIInChI=1S/C21H31N5O2/c1-2-3-11-23-13-15-24(16-14-23)12-10-22-20(27)26-19-7-5-4-6-18(19)25(21(26)28)17-8-9-17/h4-7,17H,2-3,8-16H2,1H3,(H,22,27)
InChIKeyWALCAXLVHKUXCV-UHFFFAOYSA-N
XLogP2.11
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-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 N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide (CID 10045643) is N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide is CCCCN1CCN(CCNC(=O)n2c(=O)n(C3CC3)c3ccccc32)CC1.
What is the InChIKey of N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide?
The InChIKey is WALCAXLVHKUXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-2-3-11-23-13-15-24(16-14-23)12-10-22-20(27)26-19-7-5-4-6-18(19)25(21(26)28)17-8-9-17/h4-7,17H,2-3,8-16H2,1H3,(H,22,27).
What are the key properties of N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide?
N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butylpiperazin-1-yl)ethyl]-3-cyclopropyl-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 10045643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).