2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

C20H20ClN3O2 — CID 17033154

IUPAC2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C20H20ClN3O2/c21-15-9-7-14(8-10-15)20-23-17-5-1-2-6-18(17)24(20)13-19(25)22-12-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11-13H2,(H,22,25)
InChIKeyDQXSGGVHWXDNJU-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.65
Rot. Bonds5

About 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide

2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 17033154) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID17033154
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NCC1CCCO1
InChIInChI=1S/C20H20ClN3O2/c21-15-9-7-14(8-10-15)20-23-17-5-1-2-6-18(17)24(20)13-19(25)22-12-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11-13H2,(H,22,25)
InChIKeyDQXSGGVHWXDNJU-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-ylmethyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287181
N-[[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029337
2-methyl-N-[1-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029816
2-[2-(2-acetamidoethyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17030256
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46925423
N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030599
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(3-ethoxypropyl)acetamide
CID 17033120
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 17031184
3-methyl-N-[2-[1-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030841
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 17033124
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
2-indol-1-yl-N-(oxolan-2-ylmethyl)acetamide
CID 5125884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 17033154) is 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is DQXSGGVHWXDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-9-7-14(8-10-15)20-23-17-5-1-2-6-18(17)24(20)13-19(25)22-12-16-4-3-11-26-16/h1-2,5-10,16H,3-4,11-13H2,(H,22,25).
What are the key properties of 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 369.85 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 17033154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).