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

C25H23N5OS — CID 44524105

IUPAC4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCc5cn(C)cn5)cc4)s3)nc12
InChIInChI=1S/C25H23N5OS/c1-16-4-3-5-20-23(16)29-24(28-20)22-11-10-21(32-22)17-6-8-18(9-7-17)25(31)26-13-12-19-14-30(2)15-27-19/h3-11,14-15H,12-13H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyNHUKQHGGMSKDIU-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.97
Rot. Bonds6

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

4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide (PubChem CID 44524105) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide
PubChem CID44524105
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC Name4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCc5cn(C)cn5)cc4)s3)nc12
InChIInChI=1S/C25H23N5OS/c1-16-4-3-5-20-23(16)29-24(28-20)22-11-10-21(32-22)17-6-8-18(9-7-17)25(31)26-13-12-19-14-30(2)15-27-19/h3-11,14-15H,12-13H2,1-2H3,(H,26,31)(H,28,29)
InChIKeyNHUKQHGGMSKDIU-UHFFFAOYSA-N
XLogP4.97
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(1-methylimidazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide (CID 44524105) is 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide is Cc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)NCCc5cn(C)cn5)cc4)s3)nc12.
What is the InChIKey of 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide?
The InChIKey is NHUKQHGGMSKDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c1-16-4-3-5-20-23(16)29-24(28-20)22-11-10-21(32-22)17-6-8-18(9-7-17)25(31)26-13-12-19-14-30(2)15-27-19/h3-11,14-15H,12-13H2,1-2H3,(H,26,31)(H,28,29).
What are the key properties of 4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide?
4-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]-N-[2-(1-methylimidazol-4-yl)ethyl]benzamide has a molecular weight of 441.56 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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-(1-methylimidazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 44524105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).