4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide

C22H18ClN3O2 — CID 71731638

IUPAC4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H18ClN3O2/c23-18-9-10-19-20(13-18)26-21(25-19)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(28)24-11-12-27/h1-10,13,27H,11-12H2,(H,24,28)(H,25,26)
InChIKeyJARVYXWMXIIIOC-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.27
Rot. Bonds5

About 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide

4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 71731638) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide
PubChem CID71731638
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC Name4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H18ClN3O2/c23-18-9-10-19-20(13-18)26-21(25-19)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(28)24-11-12-27/h1-10,13,27H,11-12H2,(H,24,28)(H,25,26)
InChIKeyJARVYXWMXIIIOC-UHFFFAOYSA-N
XLogP4.27
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide (CID 71731638) is 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1ccc(-c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1.
What is the InChIKey of 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide?
The InChIKey is JARVYXWMXIIIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c23-18-9-10-19-20(13-18)26-21(25-19)16-5-1-14(2-6-16)15-3-7-17(8-4-15)22(28)24-11-12-27/h1-10,13,27H,11-12H2,(H,24,28)(H,25,26).
What are the key properties of 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide?
4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 391.86 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 71731638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).