N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide

C26H29N5O2 — CID 171355868

IUPACN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21
InChIInChI=1S/C26H29N5O2/c1-18-6-2-5-9-21(18)26(32)27-14-15-31-17-28-22-16-20(11-12-23(22)31)25-29-24(33-30-25)13-10-19-7-3-4-8-19/h2,5-6,9,11-12,16-17,19H,3-4,7-8,10,13-15H2,1H3,(H,27,32)
InChIKeyCRBGMWAYTQXQND-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.95
Rot. Bonds8

About N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide

N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide (PubChem CID 171355868) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide
PubChem CID171355868
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21
InChIInChI=1S/C26H29N5O2/c1-18-6-2-5-9-21(18)26(32)27-14-15-31-17-28-22-16-20(11-12-23(22)31)25-29-24(33-30-25)13-10-19-7-3-4-8-19/h2,5-6,9,11-12,16-17,19H,3-4,7-8,10,13-15H2,1H3,(H,27,32)
InChIKeyCRBGMWAYTQXQND-UHFFFAOYSA-N
XLogP4.95
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide (CID 171355868) is N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCn1cnc2cc(-c3noc(CCC4CCCC4)n3)ccc21.
What is the InChIKey of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide?
The InChIKey is CRBGMWAYTQXQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-18-6-2-5-9-21(18)26(32)27-14-15-31-17-28-22-16-20(11-12-23(22)31)25-29-24(33-30-25)13-10-19-7-3-4-8-19/h2,5-6,9,11-12,16-17,19H,3-4,7-8,10,13-15H2,1H3,(H,27,32).
What are the key properties of N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide?
N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide has a molecular weight of 443.55 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[5-(2-cyclopentylethyl)-1,2,4-oxadiazol-3-yl]benzimidazol-1-yl]ethyl]-2-methylbenzamide is sourced from PubChem (CID 171355868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).