2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine

C22H21N5 — CID 110926129

IUPAC2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1ccc(Cn2cnc3ccccc32)cc1)Nc1ccccc1
InChIInChI=1S/C22H21N5/c23-22(26-19-6-2-1-3-7-19)24-14-17-10-12-18(13-11-17)15-27-16-25-20-8-4-5-9-21(20)27/h1-13,16H,14-15H2,(H3,23,24,26)
InChIKeyKFCVRJDRICCHQJ-UHFFFAOYSA-N
MW355.45 g/mol
LogP4.01
Rot. Bonds5

About 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine

2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine (PubChem CID 110926129) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine.

Molecular Properties

Compound Name2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine
PubChem CID110926129
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine
SMILESN/C(=N\Cc1ccc(Cn2cnc3ccccc32)cc1)Nc1ccccc1
InChIInChI=1S/C22H21N5/c23-22(26-19-6-2-1-3-7-19)24-14-17-10-12-18(13-11-17)15-27-16-25-20-8-4-5-9-21(20)27/h1-13,16H,14-15H2,(H3,23,24,26)
InChIKeyKFCVRJDRICCHQJ-UHFFFAOYSA-N
XLogP4.01
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine
CID 111089217
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(3-methylphenyl)guanidine
CID 111089191
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111089241
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
CID 111089215
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111089242
2-benzyl-1-phenylguanidine
CID 12910062
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-cyclopropyl-3-ethylguanidine
CID 110988468
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
2-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-phenylguanidine;hydroiodide
CID 110893240

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine?
The IUPAC name of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine (CID 110926129) is 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine.
What is the SMILES notation for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine?
The canonical SMILES for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine is N/C(=N\Cc1ccc(Cn2cnc3ccccc32)cc1)Nc1ccccc1.
What is the InChIKey of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine?
The InChIKey is KFCVRJDRICCHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c23-22(26-19-6-2-1-3-7-19)24-14-17-10-12-18(13-11-17)15-27-16-25-20-8-4-5-9-21(20)27/h1-13,16H,14-15H2,(H3,23,24,26).
What are the key properties of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine?
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine has a molecular weight of 355.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-phenylguanidine is sourced from PubChem (CID 110926129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).