[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate

C22H17N3O3 — CID 5058448

IUPAC[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C22H17N3O3/c1-14(26)28-18-9-5-7-16(13-18)22(27)23-17-8-4-6-15(12-17)21-24-19-10-2-3-11-20(19)25-21/h2-13H,1H3,(H,23,27)(H,24,25)
InChIKeyLZUZLKOMRWQLNU-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.41
Rot. Bonds4

About [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate

[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate (PubChem CID 5058448) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
PubChem CID5058448
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1
InChIInChI=1S/C22H17N3O3/c1-14(26)28-18-9-5-7-16(13-18)22(27)23-17-8-4-6-15(12-17)21-24-19-10-2-3-11-20(19)25-21/h2-13H,1H3,(H,23,27)(H,24,25)
InChIKeyLZUZLKOMRWQLNU-UHFFFAOYSA-N
XLogP4.41
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetamido-N-[3-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]benzamide
CID 44523579
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-butoxybenzamide
CID 15997481
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 969400
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-ethylsulfonylbenzamide
CID 7522685
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(difluoromethoxy)benzamide
CID 134017494
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-methylpropanamide
CID 763445
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-heptoxybenzamide
CID 3131474
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 1271219
[3-[[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]carbamoyl]phenyl] acetate
CID 3992027

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The IUPAC name of [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate (CID 5058448) is [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The canonical SMILES for [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate is CC(=O)Oc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1.
What is the InChIKey of [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
The InChIKey is LZUZLKOMRWQLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14(26)28-18-9-5-7-16(13-18)22(27)23-17-8-4-6-15(12-17)21-24-19-10-2-3-11-20(19)25-21/h2-13H,1H3,(H,23,27)(H,24,25).
What are the key properties of [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate?
[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate has a molecular weight of 371.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl] acetate is sourced from PubChem (CID 5058448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).