1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

C9H10N4O2 — CID 115168271

IUPAC1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESCN(C(N)=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H10N4O2/c1-13(8(10)14)5-2-3-6-7(4-5)12-9(15)11-6/h2-4H,1H3,(H2,10,14)(H2,11,12,15)
InChIKeyOUEQXIMFNQBPAU-UHFFFAOYSA-N
MW206.21 g/mol
LogP0.37
Rot. Bonds1

About 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 115168271) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID115168271
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESCN(C(N)=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H10N4O2/c1-13(8(10)14)5-2-3-6-7(4-5)12-9(15)11-6/h2-4H,1H3,(H2,10,14)(H2,11,12,15)
InChIKeyOUEQXIMFNQBPAU-UHFFFAOYSA-N
XLogP0.37
TPSA94.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115178687
ethyl 2-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoacetate
CID 115141927
methyl 3-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-oxopropanoate
CID 115174253
N,2-dimethyl-2-(methylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115165676
2-cyano-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115175053
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 82494084
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (CID 115168271) is 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is CN(C(N)=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is OUEQXIMFNQBPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-13(8(10)14)5-2-3-6-7(4-5)12-9(15)11-6/h2-4H,1H3,(H2,10,14)(H2,11,12,15).
What are the key properties of 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 206.21 g/mol, XLogP of 0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 115168271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).