1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine

C22H28N4 — CID 949185

IUPAC1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine
SMILESCN(C)c1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1
InChIInChI=1S/C22H28N4/c1-25(2)19-11-8-17(9-12-19)15-23-18-10-13-22-21(14-18)24-16-26(22)20-6-4-3-5-7-20/h8-14,16,20,23H,3-7,15H2,1-2H3
InChIKeyOURYSUIEJJUHCI-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.22
Rot. Bonds5

About 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine

1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine (PubChem CID 949185) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine
PubChem CID949185
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine
SMILESCN(C)c1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1
InChIInChI=1S/C22H28N4/c1-25(2)19-11-8-17(9-12-19)15-23-18-10-13-22-21(14-18)24-16-26(22)20-6-4-3-5-7-20/h8-14,16,20,23H,3-7,15H2,1-2H3
InChIKeyOURYSUIEJJUHCI-UHFFFAOYSA-N
XLogP5.22
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'anil_alk_bim(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine?
The IUPAC name of 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine (CID 949185) is 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine?
The canonical SMILES for 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine is CN(C)c1ccc(CNc2ccc3c(c2)ncn3C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine?
The InChIKey is OURYSUIEJJUHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-25(2)19-11-8-17(9-12-19)15-23-18-10-13-22-21(14-18)24-16-26(22)20-6-4-3-5-7-20/h8-14,16,20,23H,3-7,15H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine?
1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine has a molecular weight of 348.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine is sourced from PubChem (CID 949185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).