N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide

C21H17N5O2 — CID 121272655

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2ccccc21)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H17N5O2/c27-20(23-12-19-24-15-6-2-3-7-16(15)25-19)13-26-17-8-4-1-5-14(17)11-18(26)21-22-9-10-28-21/h1-11H,12-13H2,(H,23,27)(H,24,25)
InChIKeyJVHKMJFKKFFBEZ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.49
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide

N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide (PubChem CID 121272655) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
PubChem CID121272655
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide
SMILESO=C(Cn1c(-c2ncco2)cc2ccccc21)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H17N5O2/c27-20(23-12-19-24-15-6-2-3-7-16(15)25-19)13-26-17-8-4-1-5-14(17)11-18(26)21-22-9-10-28-21/h1-11H,12-13H2,(H,23,27)(H,24,25)
InChIKeyJVHKMJFKKFFBEZ-UHFFFAOYSA-N
XLogP3.49
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide (CID 121272655) is N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide is O=C(Cn1c(-c2ncco2)cc2ccccc21)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
The InChIKey is JVHKMJFKKFFBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-20(23-12-19-24-15-6-2-3-7-16(15)25-19)13-26-17-8-4-1-5-14(17)11-18(26)21-22-9-10-28-21/h1-11H,12-13H2,(H,23,27)(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide has a molecular weight of 371.40 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-[2-(1,3-oxazol-2-yl)indol-1-yl]acetamide is sourced from PubChem (CID 121272655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).