4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine

C20H22Cl2N4 — CID 71648982

IUPAC4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H22Cl2N4/c21-14-6-5-13(17(22)11-14)12-26-19-4-2-1-3-18(19)25-20(26)24-16-9-7-15(23)8-10-16/h1-6,11,15-16H,7-10,12,23H2,(H,24,25)
InChIKeyZHDAOYJVXWURIN-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.07
Rot. Bonds4

About 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine

4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine (PubChem CID 71648982) has the molecular formula C20H22Cl2N4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine
PubChem CID71648982
Molecular FormulaC20H22Cl2N4
Molecular Weight389.33 g/mol
Exact Mass388.12
IUPAC Name4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H22Cl2N4/c21-14-6-5-13(17(22)11-14)12-26-19-4-2-1-3-18(19)25-20(26)24-16-9-7-15(23)8-10-16/h1-6,11,15-16H,7-10,12,23H2,(H,24,25)
InChIKeyZHDAOYJVXWURIN-UHFFFAOYSA-N
XLogP5.07
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.33
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine (CID 71648982) is 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine?
The InChIKey is ZHDAOYJVXWURIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4/c21-14-6-5-13(17(22)11-14)12-26-19-4-2-1-3-18(19)25-20(26)24-16-9-7-15(23)8-10-16/h1-6,11,15-16H,7-10,12,23H2,(H,24,25).
What are the key properties of 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine?
4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine has a molecular weight of 389.33 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 71648982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).