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

C13H18N4O — CID 110748284

IUPAC1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-13(2,3)7-14-12(18)17-9-4-5-10-11(6-9)16-8-15-10/h4-6,8H,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyUPJYMVZOVIDFHT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.73
Rot. Bonds2

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

1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea (PubChem CID 110748284) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
PubChem CID110748284
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
SMILESCC(C)(C)CNC(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C13H18N4O/c1-13(2,3)7-14-12(18)17-9-4-5-10-11(6-9)16-8-15-10/h4-6,8H,7H2,1-3H3,(H,15,16)(H2,14,17,18)
InChIKeyUPJYMVZOVIDFHT-UHFFFAOYSA-N
XLogP2.73
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108885927
1-(3H-benzimidazol-5-yl)-3-dodecylurea
CID 58973015
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
1-(3H-benzimidazol-5-yl)-3-[(2-bromophenyl)methyl]urea
CID 108886053
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-(3H-benzimidazol-5-yl)-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 25056225
1-(3H-benzimidazol-5-yl)-3-[(2,4-dimethylphenoxy)methyl]urea
CID 108870768
methyl 3-(3H-benzimidazol-5-ylamino)-2,2-dimethyl-3-oxopropanoate
CID 115174752
N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide
CID 115174966

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea (CID 110748284) is 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea is CC(C)(C)CNC(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea?
The InChIKey is UPJYMVZOVIDFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,3)7-14-12(18)17-9-4-5-10-11(6-9)16-8-15-10/h4-6,8H,7H2,1-3H3,(H,15,16)(H2,14,17,18).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea?
1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea has a molecular weight of 246.31 g/mol, XLogP of 2.73, 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-(2,2-dimethylpropyl)urea is sourced from PubChem (CID 110748284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).