[2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid

C10H9F2N3O3 — CID 66698061

IUPAC[2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid
SMILESCOc1cc(NC(=O)O)cc2[nH]c(C(F)F)nc12
InChIInChI=1S/C10H9F2N3O3/c1-18-6-3-4(13-10(16)17)2-5-7(6)15-9(14-5)8(11)12/h2-3,8,13H,1H3,(H,14,15)(H,16,17)
InChIKeyDWTLLZPJHWMLRI-UHFFFAOYSA-N
MW257.20 g/mol
LogP2.60
Rot. Bonds3

About [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid

[2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid (PubChem CID 66698061) has the molecular formula C10H9F2N3O3 and a molecular weight of 257.20 g/mol. Its IUPAC name is [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid.

Molecular Properties

Compound Name[2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid
PubChem CID66698061
Molecular FormulaC10H9F2N3O3
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name[2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid
SMILESCOc1cc(NC(=O)O)cc2[nH]c(C(F)F)nc12
InChIInChI=1S/C10H9F2N3O3/c1-18-6-3-4(13-10(16)17)2-5-7(6)15-9(14-5)8(11)12/h2-3,8,13H,1H3,(H,14,15)(H,16,17)
InChIKeyDWTLLZPJHWMLRI-UHFFFAOYSA-N
XLogP2.60
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid 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 [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid?
The IUPAC name of [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid (CID 66698061) is [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid.
What is the SMILES notation for [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid?
The canonical SMILES for [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid is COc1cc(NC(=O)O)cc2[nH]c(C(F)F)nc12.
What is the InChIKey of [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid?
The InChIKey is DWTLLZPJHWMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O3/c1-18-6-3-4(13-10(16)17)2-5-7(6)15-9(14-5)8(11)12/h2-3,8,13H,1H3,(H,14,15)(H,16,17).
What are the key properties of [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid?
[2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid has a molecular weight of 257.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-7-methoxy-3H-benzimidazol-5-yl]carbamic acid is sourced from PubChem (CID 66698061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).