3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine

C19H21Cl2N3O — CID 46309007

IUPAC3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C19H21Cl2N3O/c1-23(2)10-3-11-24-18-9-6-15(21)12-17(18)22-19(24)13-25-16-7-4-14(20)5-8-16/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyGODOFJFHNVFBRO-UHFFFAOYSA-N
MW378.30 g/mol
LogP4.87
Rot. Bonds7

About 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine

3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine (PubChem CID 46309007) has the molecular formula C19H21Cl2N3O and a molecular weight of 378.30 g/mol. Its IUPAC name is 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
PubChem CID46309007
Molecular FormulaC19H21Cl2N3O
Molecular Weight378.30 g/mol
Exact Mass377.11
IUPAC Name3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21
InChIInChI=1S/C19H21Cl2N3O/c1-23(2)10-3-11-24-18-9-6-15(21)12-17(18)22-19(24)13-25-16-7-4-14(20)5-8-16/h4-9,12H,3,10-11,13H2,1-2H3
InChIKeyGODOFJFHNVFBRO-UHFFFAOYSA-N
XLogP4.87
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromopropyl)-5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazole
CID 21188782
[5-chloro-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methanethiol
CID 82332768
N-butyl-N-[3-[5-chloro-2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]propyl]butan-1-amine
CID 46309703
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
2-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]ethanol
CID 46308197
1-[3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]propyl]-N,N-dimethylpiperidin-4-amine
CID 21188553
3-[5-chloro-2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]-N,N-diethylpropan-1-amine
CID 46308883
3-[2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 21188655
1-(3-bromopropyl)-2-[(4-chlorophenoxy)methyl]-5,6-dimethylbenzimidazole
CID 21188832
5-chloro-1-(2-methoxyethyl)-2-(naphthalen-2-yloxymethyl)benzimidazole
CID 46309158
2-[(4-chlorophenoxy)methyl]-1-[3-(3,5-dimethylphenoxy)propyl]benzimidazole
CID 16997111
1-[3-(4-chlorophenoxy)propyl]-2-[(2,4-dichlorophenoxy)methyl]benzimidazole
CID 16997224

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine (CID 46309007) is 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine is CN(C)CCCn1c(COc2ccc(Cl)cc2)nc2cc(Cl)ccc21.
What is the InChIKey of 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is GODOFJFHNVFBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O/c1-23(2)10-3-11-24-18-9-6-15(21)12-17(18)22-19(24)13-25-16-7-4-14(20)5-8-16/h4-9,12H,3,10-11,13H2,1-2H3.
What are the key properties of 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine?
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 378.30 g/mol, XLogP of 4.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 46309007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).