N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

C26H34N8O2S — CID 123158845

IUPACN-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)N(Cc3nn[nH]n3)CC(C)C)ccc21
InChIInChI=1S/C26H34N8O2S/c1-5-19(6-2)34-22-10-9-18(12-21(22)28-24(34)13-20-8-7-11-37-20)26(36)27-14-25(35)33(15-17(3)4)16-23-29-31-32-30-23/h7-12,17,19H,5-6,13-16H2,1-4H3,(H,27,36)(H,29,30,31,32)
InChIKeyXGXBLGVGCYTUOO-UHFFFAOYSA-N
MW522.68 g/mol
LogP3.98
Rot. Bonds12

About N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 123158845) has the molecular formula C26H34N8O2S and a molecular weight of 522.68 g/mol. Its IUPAC name is N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID123158845
Molecular FormulaC26H34N8O2S
Molecular Weight522.68 g/mol
Exact Mass522.25
IUPAC NameN-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)N(Cc3nn[nH]n3)CC(C)C)ccc21
InChIInChI=1S/C26H34N8O2S/c1-5-19(6-2)34-22-10-9-18(12-21(22)28-24(34)13-20-8-7-11-37-20)26(36)27-14-25(35)33(15-17(3)4)16-23-29-31-32-30-23/h7-12,17,19H,5-6,13-16H2,1-4H3,(H,27,36)(H,29,30,31,32)
InChIKeyXGXBLGVGCYTUOO-UHFFFAOYSA-N
XLogP3.98
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.68
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-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-[(2S)-4-methyl-1-oxo-1-(2H-tetrazol-5-ylmethylamino)pentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 118438632
N-[2-[2-methoxyethyl(methyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123872779
N-[(3S)-5-methyl-2-oxo-1-(2H-tetrazol-5-ylmethyl)pyrrolidin-3-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087605
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087376
N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123616405
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
(3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoic acid
CID 73442763
N-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123429267
N-[(2S)-4-methyl-1-oxo-1-(pentan-3-ylamino)pentan-2-yl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 90087413
2-[[1-(2,4-dimethylpentan-3-yl)-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]acetic acid
CID 126515150
N-[2-[2-(3-methoxyphenyl)ethylamino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 123346230
N-(1-hydroxypentan-3-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 126515368

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (CID 123158845) is N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is CCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NCC(=O)N(Cc3nn[nH]n3)CC(C)C)ccc21.
What is the InChIKey of N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is XGXBLGVGCYTUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O2S/c1-5-19(6-2)34-22-10-9-18(12-21(22)28-24(34)13-20-8-7-11-37-20)26(36)27-14-25(35)33(15-17(3)4)16-23-29-31-32-30-23/h7-12,17,19H,5-6,13-16H2,1-4H3,(H,27,36)(H,29,30,31,32).
What are the key properties of N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 522.68 g/mol, XLogP of 3.98, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methylpropyl(2H-tetrazol-5-ylmethyl)amino]-2-oxoethyl]-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 123158845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).