[2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate

C10H12N4O3 — CID 123541413

IUPAC[2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate
SMILESCNC(=O)C1(OC(N)=O)Nc2ccccc2N1
InChIInChI=1S/C10H12N4O3/c1-12-8(15)10(17-9(11)16)13-6-4-2-3-5-7(6)14-10/h2-5,13-14H,1H3,(H2,11,16)(H,12,15)
InChIKeyAKPHABTUGIQARQ-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.02
Rot. Bonds2

About [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate

[2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate (PubChem CID 123541413) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate.

Molecular Properties

Compound Name[2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate
PubChem CID123541413
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name[2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate
SMILESCNC(=O)C1(OC(N)=O)Nc2ccccc2N1
InChIInChI=1S/C10H12N4O3/c1-12-8(15)10(17-9(11)16)13-6-4-2-3-5-7(6)14-10/h2-5,13-14H,1H3,(H2,11,16)(H,12,15)
InChIKeyAKPHABTUGIQARQ-UHFFFAOYSA-N
XLogP0.02
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-propylacetamide
CID 2001019
(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid
CID 10845408
N-methyl-2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide
CID 945489
N-(2-Methoxy-ethyl)-2-(3-methyl-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-acetamide
CID 2020993
N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 2036061
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide
CID 663461
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 17395792
5-Methoxy-3-phenylimidazolidine-2,4-dione
CID 13258376
N-cyclopropyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 25559953
N-ethyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 25962918
2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 17621300
N-(3-ethyl-1,2-dihydrobenzimidazol-2-yl)acetamide
CID 170452584

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate?
The IUPAC name of [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate (CID 123541413) is [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate.
What is the SMILES notation for [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate?
The canonical SMILES for [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate is CNC(=O)C1(OC(N)=O)Nc2ccccc2N1.
What is the InChIKey of [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate?
The InChIKey is AKPHABTUGIQARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-12-8(15)10(17-9(11)16)13-6-4-2-3-5-7(6)14-10/h2-5,13-14H,1H3,(H2,11,16)(H,12,15).
What are the key properties of [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate?
[2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate has a molecular weight of 236.23 g/mol, XLogP of 0.02, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoyl)-1,3-dihydrobenzimidazol-2-yl] carbamate is sourced from PubChem (CID 123541413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).