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

C23H29N5O2 — CID 10835243

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide
SMILESCN1CCN(CCNC(=O)n2c(=O)n(CCc3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C23H29N5O2/c1-25-15-17-26(18-16-25)14-12-24-22(29)28-21-10-6-5-9-20(21)27(23(28)30)13-11-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,24,29)
InChIKeyRBHBRQHTBMRJHZ-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.85
Rot. Bonds6

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

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide (PubChem CID 10835243) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide
PubChem CID10835243
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide
SMILESCN1CCN(CCNC(=O)n2c(=O)n(CCc3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C23H29N5O2/c1-25-15-17-26(18-16-25)14-12-24-22(29)28-21-10-6-5-9-20(21)27(23(28)30)13-11-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,24,29)
InChIKeyRBHBRQHTBMRJHZ-UHFFFAOYSA-N
XLogP1.85
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.85
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-(2-phenylethyl)benzimidazole-1-carboxamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide (CID 10835243) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide is CN1CCN(CCNC(=O)n2c(=O)n(CCc3ccccc3)c3ccccc32)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide?
The InChIKey is RBHBRQHTBMRJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-25-15-17-26(18-16-25)14-12-24-22(29)28-21-10-6-5-9-20(21)27(23(28)30)13-11-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3,(H,24,29).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-oxo-3-(2-phenylethyl)benzimidazole-1-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 1.85, 6 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-(2-phenylethyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 10835243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).