N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide

C24H28FN5O2 — CID 42246905

IUPACN-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide
SMILESCCN1CCN(C(=O)c2cc(NC(C)=O)c3c(c2)nc(-c2ccccc2F)n3CC)CC1
InChIInChI=1S/C24H28FN5O2/c1-4-28-10-12-29(13-11-28)24(32)17-14-20(26-16(3)31)22-21(15-17)27-23(30(22)5-2)18-8-6-7-9-19(18)25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,31)
InChIKeyRNZDHBDLUMPWIC-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.60
Rot. Bonds5

About N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide

N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide (PubChem CID 42246905) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide
PubChem CID42246905
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC NameN-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide
SMILESCCN1CCN(C(=O)c2cc(NC(C)=O)c3c(c2)nc(-c2ccccc2F)n3CC)CC1
InChIInChI=1S/C24H28FN5O2/c1-4-28-10-12-29(13-11-28)24(32)17-14-20(26-16(3)31)22-21(15-17)27-23(30(22)5-2)18-8-6-7-9-19(18)25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,31)
InChIKeyRNZDHBDLUMPWIC-UHFFFAOYSA-N
XLogP3.60
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide
CID 42323827
N-[3-ethyl-2-(2-fluorophenyl)-6-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]benzimidazol-4-yl]acetamide
CID 29183713
N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide
CID 42471990
(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 3945293
N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide
CID 125165468
[5-(2,3-difluorophenyl)-3-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 42845831
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]benzimidazole-4-carboxamide
CID 42375992
(4-ethylpiperazin-1-yl)-[2-[(2-fluorophenyl)methylamino]pyrimidin-5-yl]methanone
CID 109254005
5-(4-ethylpiperazine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109104556
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
N-(3,4-difluorophenyl)-4-(4-ethylpiperazine-1-carbonyl)benzamide
CID 109046325
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzimidazole-4-carboxamide
CID 45165909

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide?
The IUPAC name of N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide (CID 42246905) is N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide is CCN1CCN(C(=O)c2cc(NC(C)=O)c3c(c2)nc(-c2ccccc2F)n3CC)CC1.
What is the InChIKey of N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide?
The InChIKey is RNZDHBDLUMPWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-4-28-10-12-29(13-11-28)24(32)17-14-20(26-16(3)31)22-21(15-17)27-23(30(22)5-2)18-8-6-7-9-19(18)25/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,26,31).
What are the key properties of N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide?
N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide is sourced from PubChem (CID 42246905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).