3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide

C26H21N3O2 — CID 44530616

IUPAC3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4c(C)cccc4[nH]3)c2)c1
InChIInChI=1S/C26H21N3O2/c1-16-6-3-11-22-23(16)29-25(28-22)20-9-4-7-18(14-20)19-8-5-10-21(15-19)27-26(30)24-17(2)12-13-31-24/h3-15H,1-2H3,(H,27,30)(H,28,29)
InChIKeyIFXRAJPLDCZGLX-UHFFFAOYSA-N
MW407.47 g/mol
LogP6.36
Rot. Bonds4

About 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide

3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide (PubChem CID 44530616) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide
PubChem CID44530616
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4c(C)cccc4[nH]3)c2)c1
InChIInChI=1S/C26H21N3O2/c1-16-6-3-11-22-23(16)29-25(28-22)20-9-4-7-18(14-20)19-8-5-10-21(15-19)27-26(30)24-17(2)12-13-31-24/h3-15H,1-2H3,(H,27,30)(H,28,29)
InChIKeyIFXRAJPLDCZGLX-UHFFFAOYSA-N
XLogP6.36
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide (CID 44530616) is 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide is Cc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4c(C)cccc4[nH]3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide?
The InChIKey is IFXRAJPLDCZGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-16-6-3-11-22-23(16)29-25(28-22)20-9-4-7-18(14-20)19-8-5-10-21(15-19)27-26(30)24-17(2)12-13-31-24/h3-15H,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide?
3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 44530616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).