3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine

C22H27N5 — CID 111286769

IUPAC3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(Cn2ccnc2)cc1)N(C)Cc1ccccc1C
InChIInChI=1S/C22H27N5/c1-18-6-4-5-7-21(18)16-26(3)22(23-2)25-14-19-8-10-20(11-9-19)15-27-13-12-24-17-27/h4-13,17H,14-16H2,1-3H3,(H,23,25)
InChIKeyMUOYBUSXQZDWLY-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.45
Rot. Bonds6

About 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine

3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine (PubChem CID 111286769) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine.

Molecular Properties

Compound Name3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine
PubChem CID111286769
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine
SMILESC/N=C(/NCc1ccc(Cn2ccnc2)cc1)N(C)Cc1ccccc1C
InChIInChI=1S/C22H27N5/c1-18-6-4-5-7-21(18)16-26(3)22(23-2)25-14-19-8-10-20(11-9-19)15-27-13-12-24-17-27/h4-13,17H,14-16H2,1-3H3,(H,23,25)
InChIKeyMUOYBUSXQZDWLY-UHFFFAOYSA-N
XLogP3.45
TPSA45.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 110951259
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111360417
3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-(2-phenoxyethyl)guanidine
CID 111273377
methyl N-[4-[[[N,N'-dimethyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]methyl]phenyl]carbamate
CID 111286967
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 111287421
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111286943
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111216017
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111286656
1-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110916065
1-[(2-ethoxyphenyl)methyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methylguanidine
CID 111881073
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2,2-diphenylacetamide
CID 37426840
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402108

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine?
The IUPAC name of 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine (CID 111286769) is 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine.
What is the SMILES notation for 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine?
The canonical SMILES for 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine is C/N=C(/NCc1ccc(Cn2ccnc2)cc1)N(C)Cc1ccccc1C.
What is the InChIKey of 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine?
The InChIKey is MUOYBUSXQZDWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-18-6-4-5-7-21(18)16-26(3)22(23-2)25-14-19-8-10-20(11-9-19)15-27-13-12-24-17-27/h4-13,17H,14-16H2,1-3H3,(H,23,25).
What are the key properties of 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine?
3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine has a molecular weight of 361.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine is sourced from PubChem (CID 111286769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).