N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

C18H18ClN3O2 — CID 110882950

IUPACN-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1c(CO)nc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2/c1-12(13-6-8-14(19)9-7-13)20-18(24)10-22-16-5-3-2-4-15(16)21-17(22)11-23/h2-9,12,23H,10-11H2,1H3,(H,20,24)
InChIKeyJOPSPVJZEGLZIZ-UHFFFAOYSA-N
MW343.81 g/mol
LogP3.06
Rot. Bonds5

About N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 110882950) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
PubChem CID110882950
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESCC(NC(=O)Cn1c(CO)nc2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O2/c1-12(13-6-8-14(19)9-7-13)20-18(24)10-22-16-5-3-2-4-15(16)21-17(22)11-23/h2-9,12,23H,10-11H2,1H3,(H,20,24)
InChIKeyJOPSPVJZEGLZIZ-UHFFFAOYSA-N
XLogP3.06
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-2-(2-methylsulfonylbenzimidazol-1-yl)acetamide
CID 55463202
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
2-[2-(methoxymethyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17028848
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17031896
2-[2-[(2-methylphenyl)methyl]benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17032419
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34392337
N-[2-[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030691
N-[(1R)-1-(4-ethylphenyl)ethyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755480
N-[[1-[2-(butan-2-ylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-chlorobenzamide
CID 17029539
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (CID 110882950) is N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is CC(NC(=O)Cn1c(CO)nc2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is JOPSPVJZEGLZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-12(13-6-8-14(19)9-7-13)20-18(24)10-22-16-5-3-2-4-15(16)21-17(22)11-23/h2-9,12,23H,10-11H2,1H3,(H,20,24).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 343.81 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 110882950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).