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

C23H21N3O2 — CID 15991532

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C23H21N3O2/c1-2-14-28-19-12-10-16(11-13-19)23(27)24-18-7-5-6-17(15-18)22-25-20-8-3-4-9-21(20)26-22/h3-13,15H,2,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyDUBIWGIOEGENOE-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.27
Rot. Bonds6

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

N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide (PubChem CID 15991532) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide
PubChem CID15991532
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
InChIInChI=1S/C23H21N3O2/c1-2-14-28-19-12-10-16(11-13-19)23(27)24-18-7-5-6-17(15-18)22-25-20-8-3-4-9-21(20)26-22/h3-13,15H,2,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyDUBIWGIOEGENOE-UHFFFAOYSA-N
XLogP5.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide (CID 15991532) is N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide?
The InChIKey is DUBIWGIOEGENOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-2-14-28-19-12-10-16(11-13-19)23(27)24-18-7-5-6-17(15-18)22-25-20-8-3-4-9-21(20)26-22/h3-13,15H,2,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 5.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-4-propoxybenzamide is sourced from PubChem (CID 15991532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).