acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine

C14H19N5O3 — CID 67387494

IUPACacetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine
SMILESCC(=O)O.COc1ccccc1C/N=C(\N)Nc1ncc[nH]1
InChIInChI=1S/C12H15N5O.C2H4O2/c1-18-10-5-3-2-4-9(10)8-16-11(13)17-12-14-6-7-15-12;1-2(3)4/h2-7H,8H2,1H3,(H4,13,14,15,16,17);1H3,(H,3,4)
InChIKeyFOTHRNPTFNPRRG-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.44
Rot. Bonds4

About acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine

acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine (PubChem CID 67387494) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Nameacetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine
PubChem CID67387494
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Nameacetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine
SMILESCC(=O)O.COc1ccccc1C/N=C(\N)Nc1ncc[nH]1
InChIInChI=1S/C12H15N5O.C2H4O2/c1-18-10-5-3-2-4-9(10)8-16-11(13)17-12-14-6-7-15-12;1-2(3)4/h2-7H,8H2,1H3,(H4,13,14,15,16,17);1H3,(H,3,4)
InChIKeyFOTHRNPTFNPRRG-UHFFFAOYSA-N
XLogP1.44
TPSA125.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.44
H-Bond Donors ≤ 54
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

2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine
CID 67386657
1-isoquinolin-3-yl-2-[(2-methoxyphenyl)methyl]guanidine
CID 67531748
2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
CID 67532251
but-2-enedioic acid;1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 161026178
1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 67532961
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
CID 110918169
N-(1H-imidazol-2-yl)-2,3-dimethoxybenzamide
CID 55027603
1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111025242
(Z)-4-amino-N-(1H-imidazol-2-yl)-2-methylbut-2-enamide
CID 131311129
(E)-but-2-enedioic acid;2-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)guanidine;6-methyl-1,3-benzothiazol-2-amine
CID 159916837
[[N-[4-(4-fluorophenyl)-2-pyridinyl]-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino] acetate
CID 118971151

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine?
The IUPAC name of acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine (CID 67387494) is acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine?
The canonical SMILES for acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine is CC(=O)O.COc1ccccc1C/N=C(\N)Nc1ncc[nH]1.
What is the InChIKey of acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine?
The InChIKey is FOTHRNPTFNPRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O.C2H4O2/c1-18-10-5-3-2-4-9(10)8-16-11(13)17-12-14-6-7-15-12;1-2(3)4/h2-7H,8H2,1H3,(H4,13,14,15,16,17);1H3,(H,3,4).
What are the key properties of acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine?
acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine has a molecular weight of 305.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 67387494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).