N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

C26H29N3O2S — CID 90087373

IUPACN-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NC(CO)c3ccccc3)ccc21
InChIInChI=1S/C26H29N3O2S/c1-3-20(4-2)29-24-13-12-19(15-22(24)27-25(29)16-21-11-8-14-32-21)26(31)28-23(17-30)18-9-6-5-7-10-18/h5-15,20,23,30H,3-4,16-17H2,1-2H3,(H,28,31)
InChIKeyUNPIOTKYSGEZBX-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.51
Rot. Bonds9

About N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 90087373) has the molecular formula C26H29N3O2S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID90087373
Molecular FormulaC26H29N3O2S
Molecular Weight447.60 g/mol
Exact Mass447.20
IUPAC NameN-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NC(CO)c3ccccc3)ccc21
InChIInChI=1S/C26H29N3O2S/c1-3-20(4-2)29-24-13-12-19(15-22(24)27-25(29)16-21-11-8-14-32-21)26(31)28-23(17-30)18-9-6-5-7-10-18/h5-15,20,23,30H,3-4,16-17H2,1-2H3,(H,28,31)
InChIKeyUNPIOTKYSGEZBX-UHFFFAOYSA-N
XLogP5.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-hydroxy-1-phenylethyl)-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

Cmf-019
CID 73442763
potassium (3S)-5-methyl-3-[[1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carbonyl]amino]hexanoate
CID 155529276
1-(3-aminopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10114123
N-cyclohexyl-N-methyl-1-(3-(methylamino)-3-oxopropyl)-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10151831
N-cyclohexyl-1-(3-hydroxypropyl)-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10160476
ethyl 3-(5-(cyclohexyl(methyl)carbamoyl)-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazol-1-yl)propanoate
CID 10162990
N-cyclohexyl-N-methyl-1-propyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10194689
1-(5-amino-5-oxopentyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10195646
N-cyclohexyl-1-(2-hydroxyethyl)-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10224336
1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10288395
1-(4-amino-4-oxobutyl)-N-cyclohexyl-N-methyl-2-(thiophene-2-carboxamido)-1H-benzo[d]imidazole-5-carboxamide
CID 10310783
N-hydroxy-3-(1-(3-hydroxypropyl)-2-(thiophen-3-yl)-1H-benzo[d]imidazol-5-yl)acrylamide
CID 11210084

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (CID 90087373) is N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is CCC(CC)n1c(Cc2cccs2)nc2cc(C(=O)NC(CO)c3ccccc3)ccc21.
What is the InChIKey of N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is UNPIOTKYSGEZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2S/c1-3-20(4-2)29-24-13-12-19(15-22(24)27-25(29)16-21-11-8-14-32-21)26(31)28-23(17-30)18-9-6-5-7-10-18/h5-15,20,23,30H,3-4,16-17H2,1-2H3,(H,28,31).
What are the key properties of N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 447.60 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-1-phenylethyl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 90087373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).