methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate

C12H15N3O3 — CID 4622

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IUPACmethyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate
SMILESCCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
InChIInChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyRAOCRURYZCVHMG-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.53
Rot. Bonds4

About methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate

methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate (PubChem CID 4622) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate
PubChem CID4622
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Namemethyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate
SMILESCCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
InChIInChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyRAOCRURYZCVHMG-UHFFFAOYSA-N
XLogP2.53
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3509826
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
Methyl (5-{4-[({[2-Fluoro-5-(Trifluoromethyl)phenyl]amino}carbonyl)amino]phenoxy}-1h-Benzimidazol-2-Yl)carbamate
CID 9935852
methyl N-[6-(4-{[(3-ethylphenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate
CID 10160775
methyl N-[6-(4-{[(2,5-difluorophenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate
CID 10161259
methyl N-[6-(4-{[(3-bromophenyl)carbamoyl]amino}phenoxy)-1H-1,3-benzodiazol-2-yl]carbamate
CID 10163749
methyl N-{6-[4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)phenoxy]-1H-1,3-benzodiazol-2-yl}carbamate
CID 10183216
Benzimidazole-urea, 16
CID 10184615
methyl N-(5-(4-((3-chlorophenyl)aminocarbonylamino)phenoxy)-1H-benzimidazol-2-yl)carbamate
CID 10204357

Frequently Asked Questions

What is the IUPAC name of methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate (CID 4622) is methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate is CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1.
What is the InChIKey of methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate?
The InChIKey is RAOCRURYZCVHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate?
methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate has a molecular weight of 249.27 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 4622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).