3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea

C13H16Cl2N4O — CID 83115200

IUPAC3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16Cl2N4O/c1-18(2)13(20)16-5-6-19-11-7-9(15)3-4-10(11)17-12(19)8-14/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyRAUCRALOUGTFNO-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.70
Rot. Bonds4

About 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea

3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea (PubChem CID 83115200) has the molecular formula C13H16Cl2N4O and a molecular weight of 315.20 g/mol. Its IUPAC name is 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea
PubChem CID83115200
Molecular FormulaC13H16Cl2N4O
Molecular Weight315.20 g/mol
Exact Mass314.07
IUPAC Name3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCCn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C13H16Cl2N4O/c1-18(2)13(20)16-5-6-19-11-7-9(15)3-4-10(11)17-12(19)8-14/h3-4,7H,5-6,8H2,1-2H3,(H,16,20)
InChIKeyRAUCRALOUGTFNO-UHFFFAOYSA-N
XLogP2.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea 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

3-[2-[2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]ethyl]-1,1-dimethylurea
CID 83112604
3-[2-[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83115515
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethylurea
CID 83115048
N-[2-[2-(chloromethyl)-6-fluorobenzimidazol-1-yl]ethyl]acetamide
CID 62376522
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 115471116
N-[2-[2-(chloromethyl)-6-cyanobenzimidazol-1-yl]ethyl]acetamide
CID 104715458
1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 113316328
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18733884
6-chloro-2-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazole
CID 115471397
6-chloro-2-ethyl-1-propylbenzimidazole
CID 46310724

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea (CID 83115200) is 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea is CN(C)C(=O)NCCn1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea?
The InChIKey is RAUCRALOUGTFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N4O/c1-18(2)13(20)16-5-6-19-11-7-9(15)3-4-10(11)17-12(19)8-14/h3-4,7H,5-6,8H2,1-2H3,(H,16,20).
What are the key properties of 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea?
3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea has a molecular weight of 315.20 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 83115200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).