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

C19H18ClN3O2 — CID 17033270

IUPACN-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C2CCCO2)nc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2/c20-13-6-1-2-7-14(13)21-18(24)12-23-16-9-4-3-8-15(16)22-19(23)17-10-5-11-25-17/h1-4,6-9,17H,5,10-12H2,(H,21,24)
InChIKeyKCLGPMSYYJZTPO-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.18
Rot. Bonds4

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

N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 17033270) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
PubChem CID17033270
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C2CCCO2)nc2ccccc21)Nc1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2/c20-13-6-1-2-7-14(13)21-18(24)12-23-16-9-4-3-8-15(16)22-19(23)17-10-5-11-25-17/h1-4,6-9,17H,5,10-12H2,(H,21,24)
InChIKeyKCLGPMSYYJZTPO-UHFFFAOYSA-N
XLogP4.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 17028771
N-benzyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17033297
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-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
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-(3-chloro-2-propan-2-yloxyphenyl)-2-(2-cyclopropylbenzimidazol-1-yl)acetamide
CID 86970901
2-(2-cyclopropylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028774
2-(2-cyclohexylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 17028725
N-benzyl-N-cyclohexyl-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide
CID 17000112

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide (CID 17033270) is N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C2CCCO2)nc2ccccc21)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is KCLGPMSYYJZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-13-6-1-2-7-14(13)21-18(24)12-23-16-9-4-3-8-15(16)22-19(23)17-10-5-11-25-17/h1-4,6-9,17H,5,10-12H2,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 355.83 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[2-(oxolan-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17033270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).