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

C24H33N3O2S — CID 123616405

IUPACN-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(C)C(CO)NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C(CC)CC
InChIInChI=1S/C24H33N3O2S/c1-5-16(4)21(15-28)26-24(29)17-10-11-22-20(13-17)25-23(14-19-9-8-12-30-19)27(22)18(6-2)7-3/h8-13,16,18,21,28H,5-7,14-15H2,1-4H3,(H,26,29)
InChIKeyMPEFXJYSFBVALH-UHFFFAOYSA-N
MW427.61 g/mol
LogP5.19
Rot. Bonds10

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

N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 123616405) has the molecular formula C24H33N3O2S and a molecular weight of 427.61 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID123616405
Molecular FormulaC24H33N3O2S
Molecular Weight427.61 g/mol
Exact Mass427.23
IUPAC NameN-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCCC(C)C(CO)NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C(CC)CC
InChIInChI=1S/C24H33N3O2S/c1-5-16(4)21(15-28)26-24(29)17-10-11-22-20(13-17)25-23(14-19-9-8-12-30-19)27(22)18(6-2)7-3/h8-13,16,18,21,28H,5-7,14-15H2,1-4H3,(H,26,29)
InChIKeyMPEFXJYSFBVALH-UHFFFAOYSA-N
XLogP5.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.61
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (CID 123616405) is N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is CCC(C)C(CO)NC(=O)c1ccc2c(c1)nc(Cc1cccs1)n2C(CC)CC.
What is the InChIKey of N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is MPEFXJYSFBVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S/c1-5-16(4)21(15-28)26-24(29)17-10-11-22-20(13-17)25-23(14-19-9-8-12-30-19)27(22)18(6-2)7-3/h8-13,16,18,21,28H,5-7,14-15H2,1-4H3,(H,26,29).
What are the key properties of N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 427.61 g/mol, XLogP of 5.19, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylpentan-2-yl)-1-pentan-3-yl-2-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 123616405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).