3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide

C24H31N5O2 — CID 71912289

IUPAC3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NC1(c2noc(C3CCCC3)n2)CCCCCC1
InChIInChI=1S/C24H31N5O2/c30-21(14-13-20-25-18-11-5-6-12-19(18)26-20)28-24(15-7-1-2-8-16-24)23-27-22(31-29-23)17-9-3-4-10-17/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,25,26)(H,28,30)
InChIKeyOHDAINHGZQAJHC-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.90
Rot. Bonds6

About 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide (PubChem CID 71912289) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
PubChem CID71912289
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NC1(c2noc(C3CCCC3)n2)CCCCCC1
InChIInChI=1S/C24H31N5O2/c30-21(14-13-20-25-18-11-5-6-12-19(18)26-20)28-24(15-7-1-2-8-16-24)23-27-22(31-29-23)17-9-3-4-10-17/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,25,26)(H,28,30)
InChIKeyOHDAINHGZQAJHC-UHFFFAOYSA-N
XLogP4.90
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide (CID 71912289) is 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide is O=C(CCc1nc2ccccc2[nH]1)NC1(c2noc(C3CCCC3)n2)CCCCCC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide?
The InChIKey is OHDAINHGZQAJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c30-21(14-13-20-25-18-11-5-6-12-19(18)26-20)28-24(15-7-1-2-8-16-24)23-27-22(31-29-23)17-9-3-4-10-17/h5-6,11-12,17H,1-4,7-10,13-16H2,(H,25,26)(H,28,30).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide has a molecular weight of 421.55 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)cycloheptyl]propanamide is sourced from PubChem (CID 71912289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).