methyl 2-amino-5-chlorobenzimidazole-1-carboxylate

C9H8ClN3O2 — CID 10353629

IUPACmethyl 2-amino-5-chlorobenzimidazole-1-carboxylate
SMILESCOC(=O)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClN3O2/c1-15-9(14)13-7-3-2-5(10)4-6(7)12-8(13)11/h2-4H,1H3,(H2,11,12)
InChIKeyOOPOWJVBBCMKSL-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.89
Rot. Bonds

About methyl 2-amino-5-chlorobenzimidazole-1-carboxylate

methyl 2-amino-5-chlorobenzimidazole-1-carboxylate (PubChem CID 10353629) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is methyl 2-amino-5-chlorobenzimidazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-chlorobenzimidazole-1-carboxylate
PubChem CID10353629
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Namemethyl 2-amino-5-chlorobenzimidazole-1-carboxylate
SMILESCOC(=O)n1c(N)nc2cc(Cl)ccc21
InChIInChI=1S/C9H8ClN3O2/c1-15-9(14)13-7-3-2-5(10)4-6(7)12-8(13)11/h2-4H,1H3,(H2,11,12)
InChIKeyOOPOWJVBBCMKSL-UHFFFAOYSA-N
XLogP1.89
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-chlorobenzimidazole-1-carboxylate?
The IUPAC name of methyl 2-amino-5-chlorobenzimidazole-1-carboxylate (CID 10353629) is methyl 2-amino-5-chlorobenzimidazole-1-carboxylate.
What is the SMILES notation for methyl 2-amino-5-chlorobenzimidazole-1-carboxylate?
The canonical SMILES for methyl 2-amino-5-chlorobenzimidazole-1-carboxylate is COC(=O)n1c(N)nc2cc(Cl)ccc21.
What is the InChIKey of methyl 2-amino-5-chlorobenzimidazole-1-carboxylate?
The InChIKey is OOPOWJVBBCMKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c1-15-9(14)13-7-3-2-5(10)4-6(7)12-8(13)11/h2-4H,1H3,(H2,11,12).
What are the key properties of methyl 2-amino-5-chlorobenzimidazole-1-carboxylate?
methyl 2-amino-5-chlorobenzimidazole-1-carboxylate has a molecular weight of 225.64 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-chlorobenzimidazole-1-carboxylate is sourced from PubChem (CID 10353629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).