1H-benzimidazole;methyl carbamate

C9H11N3O2 — CID 18504441

IUPAC1H-benzimidazole;methyl carbamate
SMILESCOC(N)=O.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C2H5NO2/c1-2-4-7-6(3-1)8-5-9-7;1-5-2(3)4/h1-5H,(H,8,9);1H3,(H2,3,4)
InChIKeyURANHGZOFVYVJV-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.27
Rot. Bonds

About 1H-benzimidazole;methyl carbamate

1H-benzimidazole;methyl carbamate (PubChem CID 18504441) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 1H-benzimidazole;methyl carbamate.

Molecular Properties

Compound Name1H-benzimidazole;methyl carbamate
PubChem CID18504441
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name1H-benzimidazole;methyl carbamate
SMILESCOC(N)=O.c1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2.C2H5NO2/c1-2-4-7-6(3-1)8-5-9-7;1-5-2(3)4/h1-5H,(H,8,9);1H3,(H2,3,4)
InChIKeyURANHGZOFVYVJV-UHFFFAOYSA-N
XLogP1.27
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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bis(1H-benzimidazole);hydrochloride
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CID 5259880
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CID 142113314
acetylene;bis(1H-benzimidazole)
CID 143659644
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CID 174891856
sodium;1H-benzimidazole;2-hydroxypropanoate
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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;methyl carbamate?
The IUPAC name of 1H-benzimidazole;methyl carbamate (CID 18504441) is 1H-benzimidazole;methyl carbamate.
What is the SMILES notation for 1H-benzimidazole;methyl carbamate?
The canonical SMILES for 1H-benzimidazole;methyl carbamate is COC(N)=O.c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole;methyl carbamate?
The InChIKey is URANHGZOFVYVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2.C2H5NO2/c1-2-4-7-6(3-1)8-5-9-7;1-5-2(3)4/h1-5H,(H,8,9);1H3,(H2,3,4).
What are the key properties of 1H-benzimidazole;methyl carbamate?
1H-benzimidazole;methyl carbamate has a molecular weight of 193.21 g/mol, XLogP of 1.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;methyl carbamate is sourced from PubChem (CID 18504441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).