1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea

C15H22N4O — CID 110747240

IUPAC1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
SMILESCn1c(CNC(=O)NCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-15(2,3)10-17-14(20)16-9-13-18-11-7-5-6-8-12(11)19(13)4/h5-8H,9-10H2,1-4H3,(H2,16,17,20)
InChIKeyOVKKHMRPZFKCHY-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.42
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea

1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea (PubChem CID 110747240) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
PubChem CID110747240
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
SMILESCn1c(CNC(=O)NCC(C)(C)C)nc2ccccc21
InChIInChI=1S/C15H22N4O/c1-15(2,3)10-17-14(20)16-9-13-18-11-7-5-6-8-12(11)19(13)4/h5-8H,9-10H2,1-4H3,(H2,16,17,20)
InChIKeyOVKKHMRPZFKCHY-UHFFFAOYSA-N
XLogP2.42
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]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-[(1-methylbenzimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 134056803
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
3-[(1-methylbenzimidazol-2-yl)methylcarbamoyl]benzoic acid
CID 75514350
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 24583701
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
1-[(1,2-dimethylbenzimidazol-5-yl)methyl]-3-(2,2-dimethylpropyl)urea
CID 110775493
2-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pent-2-enamide
CID 76861363
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91823103

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea (CID 110747240) is 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea is Cn1c(CNC(=O)NCC(C)(C)C)nc2ccccc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea?
The InChIKey is OVKKHMRPZFKCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)10-17-14(20)16-9-13-18-11-7-5-6-8-12(11)19(13)4/h5-8H,9-10H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea?
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea has a molecular weight of 274.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea is sourced from PubChem (CID 110747240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).