1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea

C16H16N4O — CID 108886016

IUPAC1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-10-4-3-5-11(2)15(10)20-16(21)19-12-6-7-13-14(8-12)18-9-17-13/h3-9H,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyGEOKKEWGSLJHIT-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.82
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea

1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea (PubChem CID 108886016) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
PubChem CID108886016
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea
SMILESCc1cccc(C)c1NC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H16N4O/c1-10-4-3-5-11(2)15(10)20-16(21)19-12-6-7-13-14(8-12)18-9-17-13/h3-9H,1-2H3,(H,17,18)(H2,19,20,21)
InChIKeyGEOKKEWGSLJHIT-UHFFFAOYSA-N
XLogP3.82
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3H-benzimidazol-5-yl)-3-(3-methoxyphenyl)urea
CID 108869161
methyl 3-(3H-benzimidazol-5-ylcarbamoylamino)benzoate
CID 108886048
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
1-(3H-benzimidazol-5-yl)-3-(5-methyl-2-pyridinyl)urea
CID 108886074
N-(3H-benzimidazol-5-yl)-6-methylpyridine-2-carboxamide
CID 110462493
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-(3H-benzimidazol-5-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
CID 110748284
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea (CID 108886016) is 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea is Cc1cccc(C)c1NC(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea?
The InChIKey is GEOKKEWGSLJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-10-4-3-5-11(2)15(10)20-16(21)19-12-6-7-13-14(8-12)18-9-17-13/h3-9H,1-2H3,(H,17,18)(H2,19,20,21).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea?
1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea has a molecular weight of 280.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-(2,6-dimethylphenyl)urea is sourced from PubChem (CID 108886016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).