N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide

C22H17N3O3 — CID 156700159

IUPACN-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide
SMILESCc1ccc2nc(C(=O)C=Cc3ccc(C(=O)Nc4ccco4)cc3)[nH]c2c1
InChIInChI=1S/C22H17N3O3/c1-14-4-10-17-18(13-14)24-21(23-17)19(26)11-7-15-5-8-16(9-6-15)22(27)25-20-3-2-12-28-20/h2-13H,1H3,(H,23,24)(H,25,27)
InChIKeyYWPGJHHQCSELFW-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.61
Rot. Bonds5

About N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide

N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide (PubChem CID 156700159) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide
PubChem CID156700159
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC NameN-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide
SMILESCc1ccc2nc(C(=O)C=Cc3ccc(C(=O)Nc4ccco4)cc3)[nH]c2c1
InChIInChI=1S/C22H17N3O3/c1-14-4-10-17-18(13-14)24-21(23-17)19(26)11-7-15-5-8-16(9-6-15)22(27)25-20-3-2-12-28-20/h2-13H,1H3,(H,23,24)(H,25,27)
InChIKeyYWPGJHHQCSELFW-UHFFFAOYSA-N
XLogP4.61
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide (CID 156700159) is N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide is Cc1ccc2nc(C(=O)C=Cc3ccc(C(=O)Nc4ccco4)cc3)[nH]c2c1.
What is the InChIKey of N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide?
The InChIKey is YWPGJHHQCSELFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14-4-10-17-18(13-14)24-21(23-17)19(26)11-7-15-5-8-16(9-6-15)22(27)25-20-3-2-12-28-20/h2-13H,1H3,(H,23,24)(H,25,27).
What are the key properties of N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide?
N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-yl)-4-[3-(6-methyl-1H-benzimidazol-2-yl)-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 156700159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).