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

C19H23N5 — CID 111089215

IUPAC2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/Cc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C19H23N5/c1-14(2)23-19(20)21-11-15-7-9-16(10-8-15)12-24-13-22-17-5-3-4-6-18(17)24/h3-10,13-14H,11-12H2,1-2H3,(H3,20,21,23)
InChIKeyHRUNBGVJPHOLFF-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.90
Rot. Bonds5

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

2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine (PubChem CID 111089215) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
PubChem CID111089215
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/Cc1ccc(Cn2cnc3ccccc32)cc1
InChIInChI=1S/C19H23N5/c1-14(2)23-19(20)21-11-15-7-9-16(10-8-15)12-24-13-22-17-5-3-4-6-18(17)24/h3-10,13-14H,11-12H2,1-2H3,(H3,20,21,23)
InChIKeyHRUNBGVJPHOLFF-UHFFFAOYSA-N
XLogP2.90
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.90
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-(4-methylphenyl)guanidine
CID 111089217
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-(cyclobutylmethyl)guanidine;hydroiodide
CID 111089242
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-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111234423
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-[[4-[(2S)-butan-2-yl]phenyl]methyl]benzimidazole
CID 40698685
4-(benzimidazol-1-ylmethyl)benzenecarboximidamide
CID 24694539
1-[[4-(1-methoxyethenyl)phenyl]methyl]benzimidazole
CID 143780945

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine?
The IUPAC name of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine (CID 111089215) is 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine.
What is the SMILES notation for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine?
The canonical SMILES for 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine is CC(C)N/C(N)=N/Cc1ccc(Cn2cnc3ccccc32)cc1.
What is the InChIKey of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine?
The InChIKey is HRUNBGVJPHOLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-14(2)23-19(20)21-11-15-7-9-16(10-8-15)12-24-13-22-17-5-3-4-6-18(17)24/h3-10,13-14H,11-12H2,1-2H3,(H3,20,21,23).
What are the key properties of 2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine?
2-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine has a molecular weight of 321.43 g/mol, XLogP of 2.90, 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-propan-2-ylguanidine is sourced from PubChem (CID 111089215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).