N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide

C25H19N3O2 — CID 44530614

IUPACN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C25H19N3O2/c1-16-12-13-30-23(16)25(29)26-20-9-5-7-18(15-20)17-6-4-8-19(14-17)24-27-21-10-2-3-11-22(21)28-24/h2-15H,1H3,(H,26,29)(H,27,28)
InChIKeyUGMKPDKXMCDBEU-UHFFFAOYSA-N
MW393.45 g/mol
LogP6.05
Rot. Bonds4

About N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide

N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide (PubChem CID 44530614) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide
PubChem CID44530614
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC NameN-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C25H19N3O2/c1-16-12-13-30-23(16)25(29)26-20-9-5-7-18(15-20)17-6-4-8-19(14-17)24-27-21-10-2-3-11-22(21)28-24/h2-15H,1H3,(H,26,29)(H,27,28)
InChIKeyUGMKPDKXMCDBEU-UHFFFAOYSA-N
XLogP6.05
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,6-difluorobenzamide
CID 3706187
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 1108445
N-[3-(1H-benzimidazol-2-yl)phenyl]-2,4,5-trimethoxybenzamide
CID 51109807
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-methylsulfonylbenzamide
CID 78792274
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 5058448

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide (CID 44530614) is N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is UGMKPDKXMCDBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-16-12-13-30-23(16)25(29)26-20-9-5-7-18(15-20)17-6-4-8-19(14-17)24-27-21-10-2-3-11-22(21)28-24/h2-15H,1H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide?
N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 6.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 44530614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).