2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide

C27H22N4O3S — CID 44523578

IUPAC2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)COc5ccccc5C(N)=O)c4)s3)nc12
InChIInChI=1S/C27H22N4O3S/c1-16-6-4-10-20-25(16)31-27(30-20)23-13-12-22(35-23)17-7-5-8-18(14-17)29-24(32)15-34-21-11-3-2-9-19(21)26(28)33/h2-14H,15H2,1H3,(H2,28,33)(H,29,32)(H,30,31)
InChIKeyVEIKOWOHMXMAQY-UHFFFAOYSA-N
MW482.57 g/mol
LogP5.38
Rot. Bonds7

About 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide

2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide (PubChem CID 44523578) has the molecular formula C27H22N4O3S and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide
PubChem CID44523578
Molecular FormulaC27H22N4O3S
Molecular Weight482.57 g/mol
Exact Mass482.14
IUPAC Name2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide
SMILESCc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)COc5ccccc5C(N)=O)c4)s3)nc12
InChIInChI=1S/C27H22N4O3S/c1-16-6-4-10-20-25(16)31-27(30-20)23-13-12-22(35-23)17-7-5-8-18(14-17)29-24(32)15-34-21-11-3-2-9-19(21)26(28)33/h2-14H,15H2,1H3,(H2,28,33)(H,29,32)(H,30,31)
InChIKeyVEIKOWOHMXMAQY-UHFFFAOYSA-N
XLogP5.38
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.57
LogP ≤ 55.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide?
The IUPAC name of 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide (CID 44523578) is 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide?
The canonical SMILES for 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide is Cc1cccc2[nH]c(-c3ccc(-c4cccc(NC(=O)COc5ccccc5C(N)=O)c4)s3)nc12.
What is the InChIKey of 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide?
The InChIKey is VEIKOWOHMXMAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3S/c1-16-6-4-10-20-25(16)31-27(30-20)23-13-12-22(35-23)17-7-5-8-18(14-17)29-24(32)15-34-21-11-3-2-9-19(21)26(28)33/h2-14H,15H2,1H3,(H2,28,33)(H,29,32)(H,30,31).
What are the key properties of 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide?
2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide has a molecular weight of 482.57 g/mol, XLogP of 5.38, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[5-(4-methyl-1H-benzimidazol-2-yl)thiophen-2-yl]anilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 44523578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).