2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide

C19H20ClN3O3 — CID 78857564

IUPAC2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H20ClN3O3/c1-13(24)10-21-19(25)11-23-17-5-3-2-4-16(17)22-18(23)12-26-15-8-6-14(20)7-9-15/h2-9,13,24H,10-12H2,1H3,(H,21,25)
InChIKeyRBZIPYWMPYPEIY-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.77
Rot. Bonds7

About 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide

2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide (PubChem CID 78857564) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
PubChem CID78857564
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide
SMILESCC(O)CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21
InChIInChI=1S/C19H20ClN3O3/c1-13(24)10-21-19(25)11-23-17-5-3-2-4-16(17)22-18(23)12-26-15-8-6-14(20)7-9-15/h2-9,13,24H,10-12H2,1H3,(H,21,25)
InChIKeyRBZIPYWMPYPEIY-UHFFFAOYSA-N
XLogP2.77
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 3-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]propanoate
CID 78839395
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-[2-(diethylamino)ethyl]acetamide
CID 112759773
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-phenylacetamide
CID 17032157
2-[[2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]acetyl]amino]-3-methylpentanamide
CID 78773101
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-3-ylmethyl)acetamide
CID 112843170
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 4234057
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031855
2-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032004
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 78831219
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-cyclopropyl-N-propan-2-ylacetamide
CID 112816966
2-[2-[(2-methoxyphenoxy)methyl]benzimidazol-1-yl]-N-(2-methylpropyl)acetamide
CID 17031904

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide (CID 78857564) is 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide is CC(O)CNC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21.
What is the InChIKey of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide?
The InChIKey is RBZIPYWMPYPEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-13(24)10-21-19(25)11-23-17-5-3-2-4-16(17)22-18(23)12-26-15-8-6-14(20)7-9-15/h2-9,13,24H,10-12H2,1H3,(H,21,25).
What are the key properties of 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide?
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide has a molecular weight of 373.84 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 78857564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).