methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate

C11H13N3O2 — CID 110779217

IUPACmethyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C11H13N3O2/c1-7-12-9-6-8(13-11(15)16-3)4-5-10(9)14(7)2/h4-6H,1-3H3,(H,13,15)
InChIKeyIUKAQQKFADWCIC-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.06
Rot. Bonds1

About methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate

methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate (PubChem CID 110779217) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
PubChem CID110779217
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Namemethyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
SMILESCOC(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C11H13N3O2/c1-7-12-9-6-8(13-11(15)16-3)4-5-10(9)14(7)2/h4-6H,1-3H3,(H,13,15)
InChIKeyIUKAQQKFADWCIC-UHFFFAOYSA-N
XLogP2.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate
CID 115128288
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
1-(1,2-dimethylbenzimidazol-5-yl)-3-(3-fluorophenyl)urea
CID 894122
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide
CID 112527535
N-(3,4-dimethoxyphenyl)-2-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110773200
N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112527544

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate?
The IUPAC name of methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate (CID 110779217) is methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate.
What is the SMILES notation for methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate?
The canonical SMILES for methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate is COC(=O)Nc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate?
The InChIKey is IUKAQQKFADWCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-12-9-6-8(13-11(15)16-3)4-5-10(9)14(7)2/h4-6H,1-3H3,(H,13,15).
What are the key properties of methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate?
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate has a molecular weight of 219.24 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate is sourced from PubChem (CID 110779217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).