N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide

C20H21N3O2 — CID 17033297

IUPACN-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C2CCCO2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19(21-13-15-7-2-1-3-8-15)14-23-17-10-5-4-9-16(17)22-20(23)18-11-6-12-25-18/h1-5,7-10,18H,6,11-14H2,(H,21,24)
InChIKeyQEAQNFBPPPOMMK-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.20
Rot. Bonds5

About N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide

N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 17033297) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
PubChem CID17033297
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C2CCCO2)nc2ccccc21)NCc1ccccc1
InChIInChI=1S/C20H21N3O2/c24-19(21-13-15-7-2-1-3-8-15)14-23-17-10-5-4-9-16(17)22-20(23)18-11-6-12-25-18/h1-5,7-10,18H,6,11-14H2,(H,21,24)
InChIKeyQEAQNFBPPPOMMK-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2R)-oxolan-2-yl]benzimidazol-1-yl]acetamide
CID 39730241
2-[2-(oxolan-2-yl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033298
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033270
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112
N,N-dicyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000129
ethyl 2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetate
CID 17000123
1-(2-bromoprop-2-enyl)-2-(oxolan-2-yl)benzimidazole;hydrochloride
CID 90485862
N-benzyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 863504
N-benzyl-2-(2-propan-2-ylbenzimidazol-1-yl)acetamide
CID 17028642
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 71899076
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
3-[4-[2-(benzylamino)-2-oxoethyl]-3-oxoquinoxalin-2-yl]-N-cyclopropylpropanamide
CID 46391437

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide (CID 17033297) is N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C2CCCO2)nc2ccccc21)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is QEAQNFBPPPOMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(21-13-15-7-2-1-3-8-15)14-23-17-10-5-4-9-16(17)22-20(23)18-11-6-12-25-18/h1-5,7-10,18H,6,11-14H2,(H,21,24).
What are the key properties of N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17033297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).