methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate

C15H14N4O3 — CID 12062821

IUPACmethyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1
InChIInChI=1S/C15H14N4O3/c1-21-15(20)19-14-17-12-7-6-11(8-13(12)18-14)22-10-4-2-9(16)3-5-10/h2-8H,16H2,1H3,(H2,17,18,19,20)
InChIKeyVOICTPRBLMDKHL-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.12
Rot. Bonds3

About methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate

methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate (PubChem CID 12062821) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate
PubChem CID12062821
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Namemethyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1
InChIInChI=1S/C15H14N4O3/c1-21-15(20)19-14-17-12-7-6-11(8-13(12)18-14)22-10-4-2-9(16)3-5-10/h2-8H,16H2,1H3,(H2,17,18,19,20)
InChIKeyVOICTPRBLMDKHL-UHFFFAOYSA-N
XLogP3.12
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate (CID 12062821) is methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1.
What is the InChIKey of methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate?
The InChIKey is VOICTPRBLMDKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-21-15(20)19-14-17-12-7-6-11(8-13(12)18-14)22-10-4-2-9(16)3-5-10/h2-8H,16H2,1H3,(H2,17,18,19,20).
What are the key properties of methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate has a molecular weight of 298.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-(4-aminophenoxy)-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 12062821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).