2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine

C15H22ClN3 — CID 43660321

IUPAC2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C15H22ClN3/c1-4-18(5-2)8-9-19-14-7-6-12(3)10-13(14)17-15(19)11-16/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyHWXOIMJXFNIRBA-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.43
Rot. Bonds6

About 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine

2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine (PubChem CID 43660321) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
PubChem CID43660321
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C15H22ClN3/c1-4-18(5-2)8-9-19-14-7-6-12(3)10-13(14)17-15(19)11-16/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyHWXOIMJXFNIRBA-UHFFFAOYSA-N
XLogP3.43
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 43660318
2-(chloromethyl)-5-methyl-1-propylbenzimidazole
CID 43660232
N-[2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 55097963
2-(chloromethyl)-5-methyl-1-pentylbenzimidazole
CID 43660022
2-(chloromethyl)-5-methyl-1-(2-methylsulfanylethyl)benzimidazole
CID 63960619
2-(chloromethyl)-1-(2-methoxyethyl)-5-methylbenzimidazole
CID 43660301
2-[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N,N-diethylethanamine
CID 66112168
2-(chloromethyl)-1-(2,2-dimethylpropyl)-5-methylbenzimidazole
CID 61167651
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
2-[2-(diethylaminomethyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82311668
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine (CID 43660321) is 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine is CCN(CC)CCn1c(CCl)nc2cc(C)ccc21.
What is the InChIKey of 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine?
The InChIKey is HWXOIMJXFNIRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c1-4-18(5-2)8-9-19-14-7-6-12(3)10-13(14)17-15(19)11-16/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine?
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine has a molecular weight of 279.81 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-diethylethanamine is sourced from PubChem (CID 43660321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).