1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide

C18H23IN4O — CID 120662345

IUPAC1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccco1)NCc1c(C)c2ccccc2n1C.I
InChIInChI=1S/C18H22N4O.HI/c1-13-15-8-4-5-9-16(15)22(3)17(13)12-21-18(19-2)20-11-14-7-6-10-23-14;/h4-10H,11-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyLBNIEYIXKJDWMY-UHFFFAOYSA-N
MW438.31 g/mol
LogP3.56
Rot. Bonds4

About 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide

1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 120662345) has the molecular formula C18H23IN4O and a molecular weight of 438.31 g/mol. Its IUPAC name is 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
PubChem CID120662345
Molecular FormulaC18H23IN4O
Molecular Weight438.31 g/mol
Exact Mass438.09
IUPAC Name1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccco1)NCc1c(C)c2ccccc2n1C.I
InChIInChI=1S/C18H22N4O.HI/c1-13-15-8-4-5-9-16(15)22(3)17(13)12-21-18(19-2)20-11-14-7-6-10-23-14;/h4-10H,11-12H2,1-3H3,(H2,19,20,21);1H
InChIKeyLBNIEYIXKJDWMY-UHFFFAOYSA-N
XLogP3.56
TPSA54.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide
CID 111975016
1-(furan-2-ylmethyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111751892
1-(furan-2-ylmethyl)-2-methyl-3-[2-(1,2,4-triazol-1-yl)ethyl]guanidine;hydroiodide
CID 119114637
1-(furan-2-ylmethyl)-2-methyl-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 111824831
1-(furan-2-ylmethyl)-2-methyl-3-[(1-propylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 110934528
1-(furan-2-ylmethyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 111465127
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948927
1-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 110933655
1-(furan-2-ylmethyl)-2-methyl-3-[(2,3,5,6-tetrafluorophenyl)methyl]guanidine;hydroiodide
CID 86778612
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
2-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 119114439
1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine
CID 111179316

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide (CID 120662345) is 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCc1ccco1)NCc1c(C)c2ccccc2n1C.I.
What is the InChIKey of 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is LBNIEYIXKJDWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.HI/c1-13-15-8-4-5-9-16(15)22(3)17(13)12-21-18(19-2)20-11-14-7-6-10-23-14;/h4-10H,11-12H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide?
1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 438.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-dimethylindol-2-yl)methyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 120662345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).