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

C10H11N3O2 — CID 69230726

IUPACmethyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-13(10(14)15-2)9-11-7-5-3-4-6-8(7)12-9/h3-6H,1-2H3,(H,11,12)
InChIKeyFOZWQPUAMJVYGR-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.77
Rot. Bonds1

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

methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate (PubChem CID 69230726) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
PubChem CID69230726
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Namemethyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C10H11N3O2/c1-13(10(14)15-2)9-11-7-5-3-4-6-8(7)12-9/h3-6H,1-2H3,(H,11,12)
InChIKeyFOZWQPUAMJVYGR-UHFFFAOYSA-N
XLogP1.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1H-benzimidazol-2-yl)-N-nitrosocarbamate
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N,N-dimethyl-1H-benzimidazol-2-amine
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N-(2-methoxyethyl)-N-methyl-1H-benzimidazol-2-amine
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N-methyl-N-propan-2-yl-1H-benzimidazol-2-amine
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1-(1H-benzimidazol-2-yl)-1-sulfanylurea
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CID 101039162
CID 101039162
1-[1H-benzimidazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 55125582
CID 87571724
CID 87571724
methyl 2-(1H-benzimidazol-2-ylamino)propanoate
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Frequently Asked Questions

What is the IUPAC name of methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate?
The IUPAC name of methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate (CID 69230726) is methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate?
The canonical SMILES for methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate is COC(=O)N(C)c1nc2ccccc2[nH]1.
What is the InChIKey of methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate?
The InChIKey is FOZWQPUAMJVYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-13(10(14)15-2)9-11-7-5-3-4-6-8(7)12-9/h3-6H,1-2H3,(H,11,12).
What are the key properties of methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate?
methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate has a molecular weight of 205.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1H-benzimidazol-2-yl)-N-methylcarbamate is sourced from PubChem (CID 69230726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).