2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate

C11H14N4O2 — CID 83204061

IUPAC2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
SMILESCc1cccc2nc(N)n(CCOC(N)=O)c12
InChIInChI=1S/C11H14N4O2/c1-7-3-2-4-8-9(7)15(10(12)14-8)5-6-17-11(13)16/h2-4H,5-6H2,1H3,(H2,12,14)(H2,13,16)
InChIKeyRVJSTXUXYIEWMK-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.02
Rot. Bonds3

About 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate

2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate (PubChem CID 83204061) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
PubChem CID83204061
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
SMILESCc1cccc2nc(N)n(CCOC(N)=O)c12
InChIInChI=1S/C11H14N4O2/c1-7-3-2-4-8-9(7)15(10(12)14-8)5-6-17-11(13)16/h2-4H,5-6H2,1H3,(H2,12,14)(H2,13,16)
InChIKeyRVJSTXUXYIEWMK-UHFFFAOYSA-N
XLogP1.02
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxypropyl)-7-methylbenzimidazol-2-amine
CID 115552278
7-methyl-1-(2-methylsulfonylethyl)benzimidazol-2-amine
CID 115552322
1-[2-(dimethylamino)ethyl]-7-methylbenzimidazol-2-amine
CID 115552143
7-methyl-1-(3-methylsulfonylpropyl)benzimidazol-2-amine
CID 115552409
1-[2-(3,5-difluorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552468
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
CID 106008021
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
methyl 2-(2-amino-7-methylbenzimidazol-1-yl)propanoate
CID 115552359
1-[(4-bromophenyl)methyl]-7-methylbenzimidazol-2-amine
CID 115552239
methyl 3-(2-amino-7-chlorobenzimidazol-1-yl)propanoate
CID 61294077
7-methyl-1-[(3-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 115552599
1-[(3-ethylthiophen-2-yl)methyl]-7-methylbenzimidazol-2-amine
CID 115552600

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate?
The IUPAC name of 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate (CID 83204061) is 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate.
What is the SMILES notation for 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate?
The canonical SMILES for 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate is Cc1cccc2nc(N)n(CCOC(N)=O)c12.
What is the InChIKey of 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate?
The InChIKey is RVJSTXUXYIEWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-3-2-4-8-9(7)15(10(12)14-8)5-6-17-11(13)16/h2-4H,5-6H2,1H3,(H2,12,14)(H2,13,16).
What are the key properties of 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate?
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate has a molecular weight of 234.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate is sourced from PubChem (CID 83204061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).