1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride

C19H23Cl4N3 — CID 90665116

IUPAC1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
SMILESCl.Cl.Cl.Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1
InChIInChI=1S/C19H20ClN3.3ClH/c20-16-7-5-6-15(12-16)13-23-18-9-2-1-8-17(18)21-19(23)14-22-10-3-4-11-22;;;/h1-2,5-9,12H,3-4,10-11,13-14H2;3*1H
InChIKeyYXPSGVKAZMFYBW-UHFFFAOYSA-N
MW435.23 g/mol
LogP5.60
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride

1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride (PubChem CID 90665116) has the molecular formula C19H23Cl4N3 and a molecular weight of 435.23 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
PubChem CID90665116
Molecular FormulaC19H23Cl4N3
Molecular Weight435.23 g/mol
Exact Mass433.06
IUPAC Name1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
SMILESCl.Cl.Cl.Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1
InChIInChI=1S/C19H20ClN3.3ClH/c20-16-7-5-6-15(12-16)13-23-18-9-2-1-8-17(18)21-19(23)14-22-10-3-4-11-22;;;/h1-2,5-9,12H,3-4,10-11,13-14H2;3*1H
InChIKeyYXPSGVKAZMFYBW-UHFFFAOYSA-N
XLogP5.60
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.23
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-(piperidin-1-ylmethyl)benzimidazole
CID 2986295
2-[3-(azepan-1-yl)propyl]-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18885630
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;hydroiodide
CID 134350366
2-benzyl-1-[(3-chlorophenyl)methyl]benzimidazole
CID 18879539
1-[(2-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride
CID 90664622
2-(azepan-1-ylmethyl)-1-[(4-propan-2-ylphenyl)methyl]benzimidazole
CID 18885373
1-[(4-tert-butylphenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 18884998
1-[(3-chlorophenyl)methyl]-2-(2-methylpropyl)benzimidazole
CID 974585
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
2-(azepan-1-ylmethyl)-1-[(2-chlorophenyl)methyl]benzimidazole
CID 18885363
1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;octanedioic acid
CID 155011240
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride (CID 90665116) is 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride is Cl.Cl.Cl.Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride?
The InChIKey is YXPSGVKAZMFYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3.3ClH/c20-16-7-5-6-15(12-16)13-23-18-9-2-1-8-17(18)21-19(23)14-22-10-3-4-11-22;;;/h1-2,5-9,12H,3-4,10-11,13-14H2;3*1H.
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride?
1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride has a molecular weight of 435.23 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole;trihydrochloride is sourced from PubChem (CID 90665116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).