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

C22H22N4 — CID 3562537

IUPACN-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine
SMILESCN(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1
InChIInChI=1S/C22H22N4/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/h3-14,16,23H,15H2,1-2H3
InChIKeyUQOPUGXBYMSITD-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.70
Rot. Bonds5

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

N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine (PubChem CID 3562537) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine
PubChem CID3562537
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine
SMILESCN(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1
InChIInChI=1S/C22H22N4/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/h3-14,16,23H,15H2,1-2H3
InChIKeyUQOPUGXBYMSITD-UHFFFAOYSA-N
XLogP4.70
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.70
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 N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine (CID 3562537) is N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine is CN(C)c1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine?
The InChIKey is UQOPUGXBYMSITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/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/h3-14,16,23H,15H2,1-2H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine?
N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine has a molecular weight of 342.45 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-1-phenylbenzimidazol-5-amine is sourced from PubChem (CID 3562537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).