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

C25H30FN5O2 — CID 42323827

IUPACN-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide
SMILESCCCN1CCN(C(=O)c2cc(NC(C)=O)c3c(c2)nc(-c2ccccc2F)n3CC)CC1
InChIInChI=1S/C25H30FN5O2/c1-4-10-29-11-13-30(14-12-29)25(33)18-15-21(27-17(3)32)23-22(16-18)28-24(31(23)5-2)19-8-6-7-9-20(19)26/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,27,32)
InChIKeyAVGJSXYNZQIQBL-UHFFFAOYSA-N
MW451.55 g/mol
LogP3.99
Rot. Bonds6

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

N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide (PubChem CID 42323827) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide
PubChem CID42323827
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC NameN-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide
SMILESCCCN1CCN(C(=O)c2cc(NC(C)=O)c3c(c2)nc(-c2ccccc2F)n3CC)CC1
InChIInChI=1S/C25H30FN5O2/c1-4-10-29-11-13-30(14-12-29)25(33)18-15-21(27-17(3)32)23-22(16-18)28-24(31(23)5-2)19-8-6-7-9-20(19)26/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,27,32)
InChIKeyAVGJSXYNZQIQBL-UHFFFAOYSA-N
XLogP3.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-ethyl-6-(4-ethylpiperazine-1-carbonyl)-2-(2-fluorophenyl)benzimidazol-4-yl]acetamide
CID 42246905
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
N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide
CID 26400629
N-[6-[(3R)-3-hydroxypiperidine-1-carbonyl]-2-(2-methoxyphenyl)-3-methylbenzimidazol-4-yl]acetamide
CID 125165468
(3,5-difluoro-4-hydrazinylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 63186501
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzimidazole-4-carboxamide
CID 45165909
6-acetamido-3-ethyl-2-(2-fluorophenyl)-N-[(3S)-2-oxoazepan-3-yl]benzimidazole-4-carboxamide
CID 42375992
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethylindol-2-yl)-1-methyl-7-(methylamino)benzimidazol-5-yl]methanone
CID 122703008
N-[5-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]-2-methylphenyl]acetamide
CID 78875548
(2-fluoro-5-methylphenyl)-(4-propylpiperazin-1-yl)methanone
CID 62508835

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide?
The IUPAC name of N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide (CID 42323827) is N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide.
What is the SMILES notation for N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide?
The canonical SMILES for N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide is CCCN1CCN(C(=O)c2cc(NC(C)=O)c3c(c2)nc(-c2ccccc2F)n3CC)CC1.
What is the InChIKey of N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide?
The InChIKey is AVGJSXYNZQIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-4-10-29-11-13-30(14-12-29)25(33)18-15-21(27-17(3)32)23-22(16-18)28-24(31(23)5-2)19-8-6-7-9-20(19)26/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,27,32).
What are the key properties of N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide?
N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide has a molecular weight of 451.55 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide is sourced from PubChem (CID 42323827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).