N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

C29H34N4O3S — CID 123346230

IUPACN-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)NCCc3cccc(OC)c3)ccc21
InChIInChI=1S/C29H34N4O3S/c1-4-22(5-2)33-26-12-11-21(17-25(26)32-27(33)18-24-10-7-15-37-24)29(35)31-19-28(34)30-14-13-20-8-6-9-23(16-20)36-3/h6-12,15-17,22H,4-5,13-14,18-19H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyWWEYEUBWSRJZHZ-UHFFFAOYSA-N
MW518.68 g/mol
LogP5.15
Rot. Bonds12

About N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 123346230) has the molecular formula C29H34N4O3S and a molecular weight of 518.68 g/mol. Its IUPAC name is N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID123346230
Molecular FormulaC29H34N4O3S
Molecular Weight518.68 g/mol
Exact Mass518.24
IUPAC NameN-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)NCCc3cccc(OC)c3)ccc21
InChIInChI=1S/C29H34N4O3S/c1-4-22(5-2)33-26-12-11-21(17-25(26)32-27(33)18-24-10-7-15-37-24)29(35)31-19-28(34)30-14-13-20-8-6-9-23(16-20)36-3/h6-12,15-17,22H,4-5,13-14,18-19H2,1-3H3,(H,30,34)(H,31,35)
InChIKeyWWEYEUBWSRJZHZ-UHFFFAOYSA-N
XLogP5.15
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.68
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123872779
N-[2-[(1-benzylpiperidin-3-yl)methylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123486947
N-[2-[4-(methoxymethyl)piperidin-1-yl]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123417246
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123281825
N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123616405
N-[(2S)-1-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087492
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087376
N-(1-hydroxypentan-3-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 126515368
(3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoic acid
CID 73442763
N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123158845
N-[(2S)-4-methyl-1-oxo-1-(thiophen-2-ylmethylamino)pentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087408
3,4-difluoro-N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 112993558

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (CID 123346230) is N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is CCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)NCCc3cccc(OC)c3)ccc21.
What is the InChIKey of N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is WWEYEUBWSRJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O3S/c1-4-22(5-2)33-26-12-11-21(17-25(26)32-27(33)18-24-10-7-15-37-24)29(35)31-19-28(34)30-14-13-20-8-6-9-23(16-20)36-3/h6-12,15-17,22H,4-5,13-14,18-19H2,1-3H3,(H,30,34)(H,31,35).
What are the key properties of N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 518.68 g/mol, XLogP of 5.15, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 123346230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).