trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate

C16H15N3O3 — CID 71312485

IUPACtrideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate
SMILES[2H]C([2H])([2H])OC(=O)Nc1nc2ccc(C(O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)/i1D3
InChIKeyIIQKUGXEGMZCLE-FIBGUPNXSA-N
MW300.33 g/mol
LogP2.82
Rot. Bonds4

About trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate

trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 71312485) has the molecular formula C16H15N3O3 and a molecular weight of 300.33 g/mol. Its IUPAC name is trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Nametrideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID71312485
Molecular FormulaC16H15N3O3
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Nametrideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate
SMILES[2H]C([2H])([2H])OC(=O)Nc1nc2ccc(C(O)c3ccccc3)cc2[nH]1
InChIInChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)/i1D3
InChIKeyIIQKUGXEGMZCLE-FIBGUPNXSA-N
XLogP2.82
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-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 trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate (CID 71312485) is trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate is [2H]C([2H])([2H])OC(=O)Nc1nc2ccc(C(O)c3ccccc3)cc2[nH]1.
What is the InChIKey of trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is IIQKUGXEGMZCLE-FIBGUPNXSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)/i1D3.
What are the key properties of trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate?
trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 300.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trideuteriomethyl N-[6-[hydroxy(phenyl)methyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 71312485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).