2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide

C13H15Cl2N3O — CID 115471116

IUPAC2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C13H15Cl2N3O/c1-8(2)16-13(19)7-18-11-5-9(15)3-4-10(11)17-12(18)6-14/h3-5,8H,6-7H2,1-2H3,(H,16,19)
InChIKeyMTUQAFGZSSVKIU-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.95
Rot. Bonds4

About 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide

2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide (PubChem CID 115471116) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
PubChem CID115471116
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C13H15Cl2N3O/c1-8(2)16-13(19)7-18-11-5-9(15)3-4-10(11)17-12(18)6-14/h3-5,8H,6-7H2,1-2H3,(H,16,19)
InChIKeyMTUQAFGZSSVKIU-UHFFFAOYSA-N
XLogP2.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
2-[2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17032527
4-chloro-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029540
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-N-methylacetamide
CID 65345086
methyl 2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]acetate
CID 43659664
6-chloro-2-(chloromethyl)-1-(2-methylsulfinylpropyl)benzimidazole
CID 113484388
3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea
CID 83115200
2-[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethylacetamide
CID 113316294
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857
3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442
N-[1-(4-chlorophenyl)ethyl]-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 110882950

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide (CID 115471116) is 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
The InChIKey is MTUQAFGZSSVKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-8(2)16-13(19)7-18-11-5-9(15)3-4-10(11)17-12(18)6-14/h3-5,8H,6-7H2,1-2H3,(H,16,19).
What are the key properties of 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide?
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide has a molecular weight of 300.19 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 115471116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).