N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide

C19H21FN4O2 — CID 3958112

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c20-15-7-5-14(6-8-15)9-10-21-18(26)13-24-17-4-2-1-3-16(17)23-19(24)22-11-12-25/h1-8,25H,9-13H2,(H,21,26)(H,22,23)
InChIKeyFHRUHFWPCWVBQQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP1.94
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide (PubChem CID 3958112) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
PubChem CID3958112
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C19H21FN4O2/c20-15-7-5-14(6-8-15)9-10-21-18(26)13-24-17-4-2-1-3-16(17)23-19(24)22-11-12-25/h1-8,25H,9-13H2,(H,21,26)(H,22,23)
InChIKeyFHRUHFWPCWVBQQ-UHFFFAOYSA-N
XLogP1.94
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide (CID 3958112) is N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide is O=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
The InChIKey is FHRUHFWPCWVBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-7-5-14(6-8-15)9-10-21-18(26)13-24-17-4-2-1-3-16(17)23-19(24)22-11-12-25/h1-8,25H,9-13H2,(H,21,26)(H,22,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 1.94, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 3958112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).