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

C23H23N5 — CID 111089217

IUPAC2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/Cc2ccc(Cn3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C23H23N5/c1-17-6-12-20(13-7-17)27-23(24)25-14-18-8-10-19(11-9-18)15-28-16-26-21-4-2-3-5-22(21)28/h2-13,16H,14-15H2,1H3,(H3,24,25,27)
InChIKeyRVKKCGMUGNQDBK-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.32
Rot. Bonds5

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

2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine (PubChem CID 111089217) has the molecular formula C23H23N5 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine
PubChem CID111089217
Molecular FormulaC23H23N5
Molecular Weight369.47 g/mol
Exact Mass369.20
IUPAC Name2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/Cc2ccc(Cn3cnc4ccccc43)cc2)cc1
InChIInChI=1S/C23H23N5/c1-17-6-12-20(13-7-17)27-23(24)25-14-18-8-10-19(11-9-18)15-28-16-26-21-4-2-3-5-22(21)28/h2-13,16H,14-15H2,1H3,(H3,24,25,27)
InChIKeyRVKKCGMUGNQDBK-UHFFFAOYSA-N
XLogP4.32
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.32
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-[[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
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 62447048
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-cyclopropyl-3-ethylguanidine
CID 110988468
1-(3,4-dimethylphenyl)-2-[(4-methylphenyl)methyl]guanidine
CID 111025971
1-(4-methylphenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111052504
2-[3-(benzimidazol-1-yl)propyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111032850
2-[(3-chlorophenyl)methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111024215

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine (CID 111089217) is 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/Cc2ccc(Cn3cnc4ccccc43)cc2)cc1.
What is the InChIKey of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine?
The InChIKey is RVKKCGMUGNQDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5/c1-17-6-12-20(13-7-17)27-23(24)25-14-18-8-10-19(11-9-18)15-28-16-26-21-4-2-3-5-22(21)28/h2-13,16H,14-15H2,1H3,(H3,24,25,27).
What are the key properties of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine?
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(4-methylphenyl)guanidine has a molecular weight of 369.47 g/mol, XLogP of 4.32, 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-(4-methylphenyl)guanidine is sourced from PubChem (CID 111089217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).