1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride

C22H20Cl2N2 — CID 146109991

IUPAC1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride
SMILESCc1ccc(Cn2c[n+](Cc3ccc(Cl)cc3)c3ccccc32)cc1.[Cl-]
InChIInChI=1S/C22H20ClN2.ClH/c1-17-6-8-18(9-7-17)14-24-16-25(22-5-3-2-4-21(22)24)15-19-10-12-20(23)13-11-19;/h2-13,16H,14-15H2,1H3;1H/q+1;/p-1
InChIKeyZTJRGPTZGBSUHO-UHFFFAOYSA-M
MW383.32 g/mol
LogP1.99
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride

1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride (PubChem CID 146109991) has the molecular formula C22H20Cl2N2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride
PubChem CID146109991
Molecular FormulaC22H20Cl2N2
Molecular Weight383.32 g/mol
Exact Mass382.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride
SMILESCc1ccc(Cn2c[n+](Cc3ccc(Cl)cc3)c3ccccc32)cc1.[Cl-]
InChIInChI=1S/C22H20ClN2.ClH/c1-17-6-8-18(9-7-17)14-24-16-25(22-5-3-2-4-21(22)24)15-19-10-12-20(23)13-11-19;/h2-13,16H,14-15H2,1H3;1H/q+1;/p-1
InChIKeyZTJRGPTZGBSUHO-UHFFFAOYSA-M
XLogP1.99
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-butyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium
CID 91824736
1-(methoxymethyl)-3-[(4-methylphenyl)methyl]benzimidazol-3-ium
CID 118796414
4,5-bis(4-chlorophenyl)-1,3-bis[(4-methylphenyl)methyl]imidazol-1-ium
CID 102529050
1-benzyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzimidazol-1-ium
CID 5139962
3-[(4-chlorophenyl)methyl]-1-[(Z)-4-[3-[(4-chlorophenyl)methyl]-5-methylbenzimidazol-1-ium-1-yl]but-2-enyl]-5-methylbenzimidazol-1-ium
CID 11307597
1-benzyl-3-(butoxymethyl)benzimidazol-1-ium chloride
CID 10640212
1-ethyl-3-[[3-[(3-ethylbenzimidazol-1-ium-1-yl)methyl]phenyl]methyl]benzimidazol-3-ium dibromide
CID 139239235
1-[(4-bromophenyl)methyl]-3-butylbenzimidazol-1-ium bromide
CID 146109937
1-(2-methoxyethyl)-3-[(4-nitrophenyl)methyl]benzimidazol-3-ium chloride
CID 10545631
1-benzyl-5,6-dimethyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium
CID 45051086
1-(4-benzyl-8b-methyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-3-yl)-2-[3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]ethanone
CID 127040010
N-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methyl]-1-(4-methylphenyl)methanamine
CID 124816345

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride (CID 146109991) is 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride is Cc1ccc(Cn2c[n+](Cc3ccc(Cl)cc3)c3ccccc32)cc1.[Cl-].
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride?
The InChIKey is ZTJRGPTZGBSUHO-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H20ClN2.ClH/c1-17-6-8-18(9-7-17)14-24-16-25(22-5-3-2-4-21(22)24)15-19-10-12-20(23)13-11-19;/h2-13,16H,14-15H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride?
1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride has a molecular weight of 383.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)methyl]benzimidazol-1-ium chloride is sourced from PubChem (CID 146109991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).