1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine

C25H34N6 — CID 111791378

IUPAC1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine
SMILESCCN(CC)C(CN/C(=N/C)NCc1nccn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H34N6/c1-4-30(5-2)23(22-14-10-7-11-15-22)18-28-25(26-3)29-19-24-27-16-17-31(24)20-21-12-8-6-9-13-21/h6-17,23H,4-5,18-20H2,1-3H3,(H2,26,28,29)
InChIKeyOWSDZAPACIRFQF-UHFFFAOYSA-N
MW418.59 g/mol
LogP3.68
Rot. Bonds10

About 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine

1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine (PubChem CID 111791378) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine
PubChem CID111791378
Molecular FormulaC25H34N6
Molecular Weight418.59 g/mol
Exact Mass418.28
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine
SMILESCCN(CC)C(CN/C(=N/C)NCc1nccn1Cc1ccccc1)c1ccccc1
InChIInChI=1S/C25H34N6/c1-4-30(5-2)23(22-14-10-7-11-15-22)18-28-25(26-3)29-19-24-27-16-17-31(24)20-21-12-8-6-9-13-21/h6-17,23H,4-5,18-20H2,1-3H3,(H2,26,28,29)
InChIKeyOWSDZAPACIRFQF-UHFFFAOYSA-N
XLogP3.68
TPSA57.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 111790354
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111011131
1-[2-(diethylamino)-2-phenylethyl]-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylguanidine
CID 111011051
1-[2-(1-benzylimidazol-2-yl)ethyl]-2-methyl-3-propylguanidine
CID 111228267
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111797203
1-[(1-benzylimidazol-2-yl)methyl]-3-[3-(4-fluorophenyl)sulfanylpropyl]-2-methylguanidine
CID 111795487
1-[2-(diethylamino)-2-phenylethyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
CID 111011253
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine
CID 111011225
1-[(1-benzylimidazol-2-yl)methyl]-2-methyl-3-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111791408
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111011147
1-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylguanidine
CID 111323992
1-[2-(diethylamino)-2-phenylethyl]-2-methyl-3-[(3,4,5-trimethoxyphenyl)methyl]guanidine
CID 111010947

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine (CID 111791378) is 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine is CCN(CC)C(CN/C(=N/C)NCc1nccn1Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine?
The InChIKey is OWSDZAPACIRFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6/c1-4-30(5-2)23(22-14-10-7-11-15-22)18-28-25(26-3)29-19-24-27-16-17-31(24)20-21-12-8-6-9-13-21/h6-17,23H,4-5,18-20H2,1-3H3,(H2,26,28,29).
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine?
1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine has a molecular weight of 418.59 g/mol, XLogP of 3.68, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]-3-[2-(diethylamino)-2-phenylethyl]-2-methylguanidine is sourced from PubChem (CID 111791378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).