(1-methylbenzimidazol-5-yl) N-ethylcarbamate

C11H13N3O2 — CID 90538309

IUPAC(1-methylbenzimidazol-5-yl) N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13N3O2/c1-3-12-11(15)16-8-4-5-10-9(6-8)13-7-14(10)2/h4-7H,3H2,1-2H3,(H,12,15)
InChIKeyNYOYSZDKKVLQHB-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.68
Rot. Bonds2

About (1-methylbenzimidazol-5-yl) N-ethylcarbamate

(1-methylbenzimidazol-5-yl) N-ethylcarbamate (PubChem CID 90538309) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl) N-ethylcarbamate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl) N-ethylcarbamate
PubChem CID90538309
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name(1-methylbenzimidazol-5-yl) N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc2c(c1)ncn2C
InChIInChI=1S/C11H13N3O2/c1-3-12-11(15)16-8-4-5-10-9(6-8)13-7-14(10)2/h4-7H,3H2,1-2H3,(H,12,15)
InChIKeyNYOYSZDKKVLQHB-UHFFFAOYSA-N
XLogP1.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylbenzimidazol-5-yl) N-pentan-3-ylcarbamate
CID 90538291
(1-methylbenzimidazol-5-yl) 2-chloroacetate
CID 90538090
(1-methylbenzimidazol-5-yl) 4-bromobutanoate
CID 90538196
(1-methylbenzimidazol-5-yl) N-(2-methoxyphenyl)carbamate
CID 90538276
1-O-methyl 2-O-(1-methylbenzimidazol-5-yl) benzene-1,2-dicarboxylate
CID 90538186
(1-methylbenzimidazol-5-yl) 2-(4-methoxyphenyl)acetate
CID 90538160
(1-methylbenzimidazol-5-yl) N-(2,3-dimethoxyphenyl)carbamate
CID 90538292
(1-methylbenzimidazol-5-yl) 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 90538252
(1-methylbenzimidazol-5-yl) 2-pyridin-3-yloxyacetate
CID 90538033
(1-methylbenzimidazol-5-yl) 1-methyltriazole-4-carboxylate
CID 90538249
(1-methylbenzimidazol-5-yl) 3-cyclohexylpropanoate
CID 90538082
(1-methylbenzimidazol-5-yl) 1-benzofuran-2-carboxylate
CID 71790638

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl) N-ethylcarbamate?
The IUPAC name of (1-methylbenzimidazol-5-yl) N-ethylcarbamate (CID 90538309) is (1-methylbenzimidazol-5-yl) N-ethylcarbamate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl) N-ethylcarbamate?
The canonical SMILES for (1-methylbenzimidazol-5-yl) N-ethylcarbamate is CCNC(=O)Oc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl) N-ethylcarbamate?
The InChIKey is NYOYSZDKKVLQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-12-11(15)16-8-4-5-10-9(6-8)13-7-14(10)2/h4-7H,3H2,1-2H3,(H,12,15).
What are the key properties of (1-methylbenzimidazol-5-yl) N-ethylcarbamate?
(1-methylbenzimidazol-5-yl) N-ethylcarbamate has a molecular weight of 219.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl) N-ethylcarbamate is sourced from PubChem (CID 90538309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).