1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine

C14H19Cl2N3 — CID 113316328

IUPAC1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)Cn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H19Cl2N3/c1-14(2,18(3)4)9-19-12-7-10(16)5-6-11(12)17-13(19)8-15/h5-7H,8-9H2,1-4H3
InChIKeyPCARYCVFOXNXMV-UHFFFAOYSA-N
MW300.23 g/mol
LogP3.77
Rot. Bonds4

About 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine

1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine (PubChem CID 113316328) has the molecular formula C14H19Cl2N3 and a molecular weight of 300.23 g/mol. Its IUPAC name is 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
PubChem CID113316328
Molecular FormulaC14H19Cl2N3
Molecular Weight300.23 g/mol
Exact Mass299.10
IUPAC Name1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)Cn1c(CCl)nc2ccc(Cl)cc21
InChIInChI=1S/C14H19Cl2N3/c1-14(2,18(3)4)9-19-12-7-10(16)5-6-11(12)17-13(19)8-15/h5-7H,8-9H2,1-4H3
InChIKeyPCARYCVFOXNXMV-UHFFFAOYSA-N
XLogP3.77
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 53.77
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

1-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 103593564
6-chloro-2-(chloromethyl)-1-(2-methylpropyl)benzimidazole
CID 115470827
1-[6-bromo-2-(2-chloroethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 65346142
1-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine
CID 104837914
1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 81135613
6-chloro-2-(chloromethyl)-1-(2-methylsulfinylpropyl)benzimidazole
CID 113484388
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 82950661
3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea
CID 83115200
1-(2-amino-6-chlorobenzimidazol-1-yl)-2-methylpropan-2-ol
CID 127053654
2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 115470747
2-(chloromethyl)-1-[2-(dimethylamino)-2-methylpropyl]benzimidazole-4-carbonitrile
CID 104719537
6-chloro-2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]benzimidazole
CID 115471451

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine (CID 113316328) is 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)Cn1c(CCl)nc2ccc(Cl)cc21.
What is the InChIKey of 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
The InChIKey is PCARYCVFOXNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3/c1-14(2,18(3)4)9-19-12-7-10(16)5-6-11(12)17-13(19)8-15/h5-7H,8-9H2,1-4H3.
What are the key properties of 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine?
1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine has a molecular weight of 300.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 113316328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).