7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole

C16H21Cl2N3 — CID 107164720

IUPAC7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole
SMILESCN1CCC(C)(Cn2c(CCl)nc3cccc(Cl)c32)CC1
InChIInChI=1S/C16H21Cl2N3/c1-16(6-8-20(2)9-7-16)11-21-14(10-17)19-13-5-3-4-12(18)15(13)21/h3-5H,6-11H2,1-2H3
InChIKeyIAAMFRRWSWHHAV-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.16
Rot. Bonds3

About 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole

7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole (PubChem CID 107164720) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole
PubChem CID107164720
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole
SMILESCN1CCC(C)(Cn2c(CCl)nc3cccc(Cl)c32)CC1
InChIInChI=1S/C16H21Cl2N3/c1-16(6-8-20(2)9-7-16)11-21-14(10-17)19-13-5-3-4-12(18)15(13)21/h3-5H,6-11H2,1-2H3
InChIKeyIAAMFRRWSWHHAV-UHFFFAOYSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.16
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-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methylbenzimidazole
CID 107164708
7-chloro-2-(chloromethyl)-1-(3-methylbutyl)benzimidazole
CID 43659958
2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-iodobenzimidazole
CID 107164719
4-[2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]thiomorpholine
CID 106326545
7-chloro-2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
CID 79234541
7-chloro-2-(chloromethyl)-1-(2-cyclopentyloxyethyl)benzimidazole
CID 63827569
[1-[(7-chloro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81161695
7-chloro-2-(chloromethyl)-1-(thiophen-2-ylmethyl)benzimidazole
CID 43661018
4-[[7-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 79238246
1-[(7-chloro-1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79845623
5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 107164637

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole (CID 107164720) is 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole is CN1CCC(C)(Cn2c(CCl)nc3cccc(Cl)c32)CC1.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole?
The InChIKey is IAAMFRRWSWHHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-16(6-8-20(2)9-7-16)11-21-14(10-17)19-13-5-3-4-12(18)15(13)21/h3-5H,6-11H2,1-2H3.
What are the key properties of 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole?
7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole has a molecular weight of 326.27 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole is sourced from PubChem (CID 107164720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).