N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide

C22H19N3O2 — CID 2261114

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C22H19N3O2/c1-2-27-18-7-5-6-16(14-18)22(26)23-17-12-10-15(11-13-17)21-24-19-8-3-4-9-20(19)25-21/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChIKeyZRCZENZERHHISS-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.88
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide (PubChem CID 2261114) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide
PubChem CID2261114
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1
InChIInChI=1S/C22H19N3O2/c1-2-27-18-7-5-6-16(14-18)22(26)23-17-12-10-15(11-13-17)21-24-19-8-3-4-9-20(19)25-21/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChIKeyZRCZENZERHHISS-UHFFFAOYSA-N
XLogP4.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide (CID 2261114) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide?
The InChIKey is ZRCZENZERHHISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-27-18-7-5-6-16(14-18)22(26)23-17-12-10-15(11-13-17)21-24-19-8-3-4-9-20(19)25-21/h3-14H,2H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3-ethoxybenzamide is sourced from PubChem (CID 2261114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).