N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide

C22H18N4OS — CID 121272745

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H18N4OS/c27-22(23-13-21-24-16-7-2-3-8-17(16)25-21)14-26-18-9-4-1-6-15(18)12-19(26)20-10-5-11-28-20/h1-12H,13-14H2,(H,23,27)(H,24,25)
InChIKeyAISDSPKQUIXVOR-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.56
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide (PubChem CID 121272745) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
PubChem CID121272745
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H18N4OS/c27-22(23-13-21-24-16-7-2-3-8-17(16)25-21)14-26-18-9-4-1-6-15(18)12-19(26)20-10-5-11-28-20/h1-12H,13-14H2,(H,23,27)(H,24,25)
InChIKeyAISDSPKQUIXVOR-UHFFFAOYSA-N
XLogP4.56
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide (CID 121272745) is N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide is O=C(Cn1c(-c2cccs2)cc2ccccc21)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
The InChIKey is AISDSPKQUIXVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-22(23-13-21-24-16-7-2-3-8-17(16)25-21)14-26-18-9-4-1-6-15(18)12-19(26)20-10-5-11-28-20/h1-12H,13-14H2,(H,23,27)(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide has a molecular weight of 386.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-(2-thiophen-2-ylindol-1-yl)acetamide is sourced from PubChem (CID 121272745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).