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

C20H22Cl2N4 — CID 71649092

IUPAC2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N4/c21-14-10-9-13(15(22)11-14)12-26-19-8-4-3-7-18(19)25-20(26)24-17-6-2-1-5-16(17)23/h3-4,7-11,16-17H,1-2,5-6,12,23H2,(H,24,25)
InChIKeyBVLGTHFDYBQOPI-UHFFFAOYSA-N
MW389.33 g/mol
LogP5.07
Rot. Bonds4

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

2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine (PubChem CID 71649092) has the molecular formula C20H22Cl2N4 and a molecular weight of 389.33 g/mol. Its IUPAC name is 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine
PubChem CID71649092
Molecular FormulaC20H22Cl2N4
Molecular Weight389.33 g/mol
Exact Mass388.12
IUPAC Name2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine
SMILESNC1CCCCC1Nc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H22Cl2N4/c21-14-10-9-13(15(22)11-14)12-26-19-8-4-3-7-18(19)25-20(26)24-17-6-2-1-5-16(17)23/h3-4,7-11,16-17H,1-2,5-6,12,23H2,(H,24,25)
InChIKeyBVLGTHFDYBQOPI-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 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine?
The IUPAC name of 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine (CID 71649092) is 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine is NC1CCCCC1Nc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine?
The InChIKey is BVLGTHFDYBQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N4/c21-14-10-9-13(15(22)11-14)12-26-19-8-4-3-7-18(19)25-20(26)24-17-6-2-1-5-16(17)23/h3-4,7-11,16-17H,1-2,5-6,12,23H2,(H,24,25).
What are the key properties of 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine?
2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-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 2-N-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]cyclohexane-1,2-diamine is sourced from PubChem (CID 71649092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).