2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide

C25H24N4O3 — CID 10274172

IUPAC2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)c1
InChIInChI=1S/C25H24N4O3/c1-3-29(4-2)25(31)18-6-5-7-20(14-18)32-19-11-8-16(9-12-19)24-27-21-13-10-17(23(26)30)15-22(21)28-24/h5-15H,3-4H2,1-2H3,(H2,26,30)(H,27,28)
InChIKeyYOVVTBDGHWCNBU-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.60
Rot. Bonds7

About 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10274172) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10274172
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1cccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)c1
InChIInChI=1S/C25H24N4O3/c1-3-29(4-2)25(31)18-6-5-7-20(14-18)32-19-11-8-16(9-12-19)24-27-21-13-10-17(23(26)30)15-22(21)28-24/h5-15H,3-4H2,1-2H3,(H2,26,30)(H,27,28)
InChIKeyYOVVTBDGHWCNBU-UHFFFAOYSA-N
XLogP4.60
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
CID 143659496
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
2-[4-(4-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 10155700
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
2-[4-(3-piperidin-1-ylpropoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 11538128
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
CID 4915123

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 10274172) is 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide is CCN(CC)C(=O)c1cccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)c1.
What is the InChIKey of 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is YOVVTBDGHWCNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-29(4-2)25(31)18-6-5-7-20(14-18)32-19-11-8-16(9-12-19)24-27-21-13-10-17(23(26)30)15-22(21)28-24/h5-15H,3-4H2,1-2H3,(H2,26,30)(H,27,28).
What are the key properties of 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(diethylcarbamoyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10274172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).