Carbendazim

C9H9N3O2 — CID 25429

IUPACmethyl N-(1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)NC1=NC2=CC=CC=C2N1
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
LogP1.50
Rot. Bonds2

About Carbendazim

Carbendazim (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 NameCarbendazim
PubChem CID25429
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl N-(1H-benzimidazol-2-yl)carbamate
SMILESCOC(=O)NC1=NC2=CC=CC=C2N1
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
XLogP1.50
TPSA67.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity222

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Carbendazim?
The IUPAC name of Carbendazim (CID 25429) is methyl N-(1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for Carbendazim?
The canonical SMILES for Carbendazim is COC(=O)NC1=NC2=CC=CC=C2N1.
What is the InChIKey of Carbendazim?
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 Carbendazim?
Carbendazim has a molecular weight of 191.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Carbendazim is sourced from PubChem (CID 25429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).