N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide

C26H33N5O3 — CID 26400629

IUPACN-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide
SMILESCCCN1CCN(C(=O)c2cc(NC(C)=O)cc3nc(-c4cccc(OC)c4)n(CC)c23)CC1
InChIInChI=1S/C26H33N5O3/c1-5-10-29-11-13-30(14-12-29)26(33)22-16-20(27-18(3)32)17-23-24(22)31(6-2)25(28-23)19-8-7-9-21(15-19)34-4/h7-9,15-17H,5-6,10-14H2,1-4H3,(H,27,32)
InChIKeyGZWKPDPQWVLFQK-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.86
Rot. Bonds7

About N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide

N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide (PubChem CID 26400629) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide
PubChem CID26400629
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC NameN-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide
SMILESCCCN1CCN(C(=O)c2cc(NC(C)=O)cc3nc(-c4cccc(OC)c4)n(CC)c23)CC1
InChIInChI=1S/C26H33N5O3/c1-5-10-29-11-13-30(14-12-29)26(33)22-16-20(27-18(3)32)17-23-24(22)31(6-2)25(28-23)19-8-7-9-21(15-19)34-4/h7-9,15-17H,5-6,10-14H2,1-4H3,(H,27,32)
InChIKeyGZWKPDPQWVLFQK-UHFFFAOYSA-N
XLogP3.86
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-acetamido-3-ethyl-2-(3-methoxyphenyl)-N,N-bis(prop-2-enyl)benzimidazole-4-carboxamide
CID 42170463
N-[3-ethyl-2-(2-fluorophenyl)-6-(4-propylpiperazine-1-carbonyl)benzimidazol-4-yl]acetamide
CID 42323827
[4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]phenyl]-(4-propylpiperazin-1-yl)methanone
CID 46092149
N-[3-[1-[3-[2-(3-methoxyphenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116307
N-[1-ethyl-2-(2-fluorophenyl)-7-(5-oxo-1,4-diazepane-1-carbonyl)benzimidazol-5-yl]acetamide
CID 42471990
(2-hydroxy-5-methoxyphenyl)-(4-propylpiperazin-1-yl)methanone
CID 60712175
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
N-[3-(4-ethylpiperazine-1-carbonyl)-4-methoxyphenyl]acetamide
CID 110764459
2-[[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfonyl]-1-(4-propylpiperazin-1-yl)ethanone
CID 20860779
(4-ethylpiperazin-1-yl)-[7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 46050174
N-[1-benzyl-7-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methylbenzimidazol-5-yl]acetamide
CID 42164622
N-[1-ethyl-7-(2-ethylpiperidine-1-carbonyl)-2-pyridin-3-ylbenzimidazol-5-yl]-2-methoxyacetamide
CID 45175507

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide?
The IUPAC name of N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide (CID 26400629) is N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide.
What is the SMILES notation for N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide?
The canonical SMILES for N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide is CCCN1CCN(C(=O)c2cc(NC(C)=O)cc3nc(-c4cccc(OC)c4)n(CC)c23)CC1.
What is the InChIKey of N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide?
The InChIKey is GZWKPDPQWVLFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-5-10-29-11-13-30(14-12-29)26(33)22-16-20(27-18(3)32)17-23-24(22)31(6-2)25(28-23)19-8-7-9-21(15-19)34-4/h7-9,15-17H,5-6,10-14H2,1-4H3,(H,27,32).
What are the key properties of N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide?
N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide has a molecular weight of 463.58 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-(3-methoxyphenyl)-7-(4-propylpiperazine-1-carbonyl)benzimidazol-5-yl]acetamide is sourced from PubChem (CID 26400629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).