[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid

C10H11N3O3 — CID 156529117

IUPAC[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid
SMILESCOCn1c(NC(=O)O)nc2ccccc21
InChIInChI=1S/C10H11N3O3/c1-16-6-13-8-5-3-2-4-7(8)11-9(13)12-10(14)15/h2-5H,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyWLSQSVBEDMUUFL-UHFFFAOYSA-N
MW221.22 g/mol
LogP1.73
Rot. Bonds3

About [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid

[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid (PubChem CID 156529117) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid
PubChem CID156529117
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid
SMILESCOCn1c(NC(=O)O)nc2ccccc21
InChIInChI=1S/C10H11N3O3/c1-16-6-13-8-5-3-2-4-7(8)11-9(13)12-10(14)15/h2-5H,6H2,1H3,(H,11,12)(H,14,15)
InChIKeyWLSQSVBEDMUUFL-UHFFFAOYSA-N
XLogP1.73
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(methoxymethyl)benzimidazol-2-amine
CID 82359568
[1-(methoxymethyl)benzimidazol-2-yl]methanol
CID 1233949
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
4-methoxy-N-(1-propylbenzimidazol-2-yl)butanamide
CID 35280168
(1-ethylbenzimidazol-2-yl)carbamoyl acetate
CID 127259054
N-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]acetamide
CID 807389
N-(1-ethylbenzimidazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 6494094
cobalt(3+);1-(methoxymethyl)-2-[6-[1-(methoxymethyl)benzimidazol-2-yl]-2-pyridinyl]benzimidazole;trichloride
CID 70015423
2-amino-N-(1-ethylbenzimidazol-2-yl)acetamide;hydrochloride
CID 119265457
4-amino-N-(1-ethylbenzimidazol-2-yl)-3-methoxybutanamide
CID 120586690
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
N-(1-ethylbenzimidazol-2-yl)-6-methylpyridine-2-carboxamide
CID 46540923

Frequently Asked Questions

What is the IUPAC name of [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid?
The IUPAC name of [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid (CID 156529117) is [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid.
What is the SMILES notation for [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid?
The canonical SMILES for [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid is COCn1c(NC(=O)O)nc2ccccc21.
What is the InChIKey of [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid?
The InChIKey is WLSQSVBEDMUUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-16-6-13-8-5-3-2-4-7(8)11-9(13)12-10(14)15/h2-5H,6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid?
[1-(methoxymethyl)benzimidazol-2-yl]carbamic acid has a molecular weight of 221.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(methoxymethyl)benzimidazol-2-yl]carbamic acid is sourced from PubChem (CID 156529117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).