3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea

C12H16N4O — CID 110869161

IUPAC3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
SMILESCc1nc2cc(NC(=O)N(C)C)ccc2n1C
InChIInChI=1S/C12H16N4O/c1-8-13-10-7-9(14-12(17)15(2)3)5-6-11(10)16(8)4/h5-7H,1-4H3,(H,14,17)
InChIKeyOVXHXHLAKBQXQZ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.98
Rot. Bonds1

About 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea

3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea (PubChem CID 110869161) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
PubChem CID110869161
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
SMILESCc1nc2cc(NC(=O)N(C)C)ccc2n1C
InChIInChI=1S/C12H16N4O/c1-8-13-10-7-9(14-12(17)15(2)3)5-6-11(10)16(8)4/h5-7H,1-4H3,(H,14,17)
InChIKeyOVXHXHLAKBQXQZ-UHFFFAOYSA-N
XLogP1.98
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
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-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112527544
3-[(1,2-dimethylbenzimidazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 115136437
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706
N-(3,4-difluorophenyl)-1,2-dimethylbenzimidazole-5-carboxamide
CID 110765870

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea?
The IUPAC name of 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea (CID 110869161) is 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea.
What is the SMILES notation for 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea?
The canonical SMILES for 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea is Cc1nc2cc(NC(=O)N(C)C)ccc2n1C.
What is the InChIKey of 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea?
The InChIKey is OVXHXHLAKBQXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-13-10-7-9(14-12(17)15(2)3)5-6-11(10)16(8)4/h5-7H,1-4H3,(H,14,17).
What are the key properties of 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea?
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea has a molecular weight of 232.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea is sourced from PubChem (CID 110869161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).