4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

C25H26N4OS — CID 44523856

IUPAC4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)s3)nc12
InChIInChI=1S/C25H26N4OS/c1-17-5-4-6-20-23(17)28-24(27-20)22-12-11-21(31-22)18-7-9-19(10-8-18)25(30)26-13-16-29-14-2-3-15-29/h4-12H,2-3,13-16H2,1H3,(H,26,30)(H,27,28)
InChIKeyACVDOWGKYSRWPG-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.09
Rot. Bonds6

About 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 44523856) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID44523856
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)s3)nc12
InChIInChI=1S/C25H26N4OS/c1-17-5-4-6-20-23(17)28-24(27-20)22-12-11-21(31-22)18-7-9-19(10-8-18)25(30)26-13-16-29-14-2-3-15-29/h4-12H,2-3,13-16H2,1H3,(H,26,30)(H,27,28)
InChIKeyACVDOWGKYSRWPG-UHFFFAOYSA-N
XLogP5.09
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 44523856) is 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is Cc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCN5CCCC5)cc4)s3)nc12.
What is the InChIKey of 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is ACVDOWGKYSRWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-17-5-4-6-20-23(17)28-24(27-20)22-12-11-21(31-22)18-7-9-19(10-8-18)25(30)26-13-16-29-14-2-3-15-29/h4-12H,2-3,13-16H2,1H3,(H,26,30)(H,27,28).
What are the key properties of 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide?
4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 430.58 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 44523856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).