methyl N-(1H-benzimidazol-2-yl)carbamate

C9H9N3O2 — CID 25429

IUPACmethyl N-(1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
InChIKeyTWFZGCMQGLPBSX-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.74
Rot. Bonds1

About methyl N-(1H-benzimidazol-2-yl)carbamate

methyl N-(1H-benzimidazol-2-yl)carbamate (PubChem CID 25429) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl N-(1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1H-benzimidazol-2-yl)carbamate
PubChem CID25429
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl N-(1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13)
InChIKeyTWFZGCMQGLPBSX-UHFFFAOYSA-N
XLogP1.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl N-(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-(1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(1H-benzimidazol-2-yl)carbamate (CID 25429) is methyl N-(1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(1H-benzimidazol-2-yl)carbamate is COC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of methyl N-(1H-benzimidazol-2-yl)carbamate?
The InChIKey is TWFZGCMQGLPBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-9(13)12-8-10-6-4-2-3-5-7(6)11-8/h2-5H,1H3,(H2,10,11,12,13).
What are the key properties of methyl N-(1H-benzimidazol-2-yl)carbamate?
methyl N-(1H-benzimidazol-2-yl)carbamate has a molecular weight of 191.19 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 25429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).