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

C20H23ClN4O2 — CID 4883097

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O2/c1-14(26)12-23-20-24-17-4-2-3-5-18(17)25(20)13-19(27)22-11-10-15-6-8-16(21)9-7-15/h2-9,14,26H,10-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyUUVSKATVPJPJFX-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.84
Rot. Bonds8

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

N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (PubChem CID 4883097) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
PubChem CID4883097
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide
SMILESCC(O)CNc1nc2ccccc2n1CC(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C20H23ClN4O2/c1-14(26)12-23-20-24-17-4-2-3-5-18(17)25(20)13-19(27)22-11-10-15-6-8-16(21)9-7-15/h2-9,14,26H,10-13H2,1H3,(H,22,27)(H,23,24)
InChIKeyUUVSKATVPJPJFX-UHFFFAOYSA-N
XLogP2.84
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide (CID 4883097) is N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is CC(O)CNc1nc2ccccc2n1CC(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
The InChIKey is UUVSKATVPJPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-14(26)12-23-20-24-17-4-2-3-5-18(17)25(20)13-19(27)22-11-10-15-6-8-16(21)9-7-15/h2-9,14,26H,10-13H2,1H3,(H,22,27)(H,23,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide has a molecular weight of 386.88 g/mol, XLogP of 2.84, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[2-(2-hydroxypropylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4883097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).