2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

C25H25N5 — CID 111089241

IUPAC2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\Cc1ccc(Cn2cnc3ccccc32)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H25N5/c26-25(29-22-13-12-20-4-3-5-21(20)14-22)27-15-18-8-10-19(11-9-18)16-30-17-28-23-6-1-2-7-24(23)30/h1-2,6-14,17H,3-5,15-16H2,(H3,26,27,29)
InChIKeyPGEWDUHVYNXTRH-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.50
Rot. Bonds5

About 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine

2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (PubChem CID 111089241) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.

Molecular Properties

Compound Name2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
PubChem CID111089241
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
SMILESN/C(=N\Cc1ccc(Cn2cnc3ccccc32)cc1)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C25H25N5/c26-25(29-22-13-12-20-4-3-5-21(20)14-22)27-15-18-8-10-19(11-9-18)16-30-17-28-23-6-1-2-7-24(23)30/h1-2,6-14,17H,3-5,15-16H2,(H3,26,27,29)
InChIKeyPGEWDUHVYNXTRH-UHFFFAOYSA-N
XLogP4.50
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.50
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-phenylguanidine
CID 110926129
2-[3-(benzimidazol-1-yl)propyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine
CID 111032862
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
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]guanidine
CID 111079793
2-benzyl-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111022842
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
CID 111089215
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine
CID 111071811
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111033531
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111089242
1-(2,3-dihydro-1H-inden-5-yl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052528
1-(2,3-dihydro-1H-inden-5-yl)-2-[(6-methyl-3-pyridinyl)methyl]guanidine
CID 119118827

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The IUPAC name of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine (CID 111089241) is 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine.
What is the SMILES notation for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The canonical SMILES for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine is N/C(=N\Cc1ccc(Cn2cnc3ccccc32)cc1)Nc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
The InChIKey is PGEWDUHVYNXTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c26-25(29-22-13-12-20-4-3-5-21(20)14-22)27-15-18-8-10-19(11-9-18)16-30-17-28-23-6-1-2-7-24(23)30/h1-2,6-14,17H,3-5,15-16H2,(H3,26,27,29).
What are the key properties of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine?
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine has a molecular weight of 395.51 g/mol, XLogP of 4.50, 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-(2,3-dihydro-1H-inden-5-yl)guanidine is sourced from PubChem (CID 111089241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).