N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

C16H24ClN3 — CID 29075823

IUPACN-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCn1c(CCl)nc2ccccc21)C(C)C
InChIInChI=1S/C16H24ClN3/c1-12(2)19(13(3)4)9-10-20-15-8-6-5-7-14(15)18-16(20)11-17/h5-8,12-13H,9-11H2,1-4H3
InChIKeyDWGRDLXWWNMRLU-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.89
Rot. Bonds6

About N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine

N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (PubChem CID 29075823) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
PubChem CID29075823
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(CCn1c(CCl)nc2ccccc21)C(C)C
InChIInChI=1S/C16H24ClN3/c1-12(2)19(13(3)4)9-10-20-15-8-6-5-7-14(15)18-16(20)11-17/h5-8,12-13H,9-11H2,1-4H3
InChIKeyDWGRDLXWWNMRLU-UHFFFAOYSA-N
XLogP3.89
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.89
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

N-[2-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine
CID 43659969
2-(chloromethyl)-1-(3-phenylbutyl)benzimidazole
CID 63547545
3-[2-(chloromethyl)benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 29075881
2-(chloromethyl)-1-(4-propan-2-yloxybutyl)benzimidazole
CID 106005117
2-(chloromethyl)-1-(3-methoxy-2-methylpropyl)benzimidazole
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CID 63226848
5-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 106420298
2-(chloromethyl)-1-(2-thiophen-3-ylethyl)benzimidazole
CID 61477875
N-[2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]ethyl]-N-methylpropan-2-amine
CID 55097963
2-(chloromethyl)-1-[2-(2,2-difluoroethoxy)ethyl]benzimidazole
CID 114128388
2-(chloromethyl)-1-(2-methyl-2-methylsulfonylpropyl)benzimidazole
CID 79561713
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine (CID 29075823) is N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is CC(C)N(CCn1c(CCl)nc2ccccc21)C(C)C.
What is the InChIKey of N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is DWGRDLXWWNMRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-12(2)19(13(3)4)9-10-20-15-8-6-5-7-14(15)18-16(20)11-17/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine?
N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 293.84 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(chloromethyl)benzimidazol-1-yl]ethyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 29075823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).