1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide

C19H22ClIN4 — CID 111882826

IUPAC1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccc1Cl)NCc1cc2ccccc2[nH]1.I
InChIInChI=1S/C19H21ClN4.HI/c1-21-19(22-11-10-14-6-2-4-8-17(14)20)23-13-16-12-15-7-3-5-9-18(15)24-16;/h2-9,12,24H,10-11,13H2,1H3,(H2,21,22,23);1H
InChIKeyVINANSSIOZGRBE-UHFFFAOYSA-N
MW468.77 g/mol
LogP4.35
Rot. Bonds5

About 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide

1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide (PubChem CID 111882826) has the molecular formula C19H22ClIN4 and a molecular weight of 468.77 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
PubChem CID111882826
Molecular FormulaC19H22ClIN4
Molecular Weight468.77 g/mol
Exact Mass468.06
IUPAC Name1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCCc1ccccc1Cl)NCc1cc2ccccc2[nH]1.I
InChIInChI=1S/C19H21ClN4.HI/c1-21-19(22-11-10-14-6-2-4-8-17(14)20)23-13-16-12-15-7-3-5-9-18(15)24-16;/h2-9,12,24H,10-11,13H2,1H3,(H2,21,22,23);1H
InChIKeyVINANSSIOZGRBE-UHFFFAOYSA-N
XLogP4.35
TPSA52.21 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.77
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-(1H-indol-2-ylmethyl)-2-methyl-3-(2-phenylethyl)guanidine
CID 111136371
1-[(2-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111265302
1-(1H-indol-2-ylmethyl)-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine;hydroiodide
CID 111295472
1-(1H-indol-2-ylmethyl)-2-methyl-3-pentylguanidine
CID 111130538
1-[2-(furan-2-yl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine
CID 111356692
1-(1H-indol-2-ylmethyl)-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111192288
1-(1H-indol-2-ylmethyl)-2,3-dimethylguanidine
CID 47091801
1-(1H-indol-2-ylmethyl)-3-(3-methoxypropyl)-2-methylguanidine
CID 110974245
1-(1H-indol-2-ylmethyl)-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111613699
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111245890
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-[2-(2-chlorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111882950
1-[(3-fluorophenyl)methyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 111877154

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide (CID 111882826) is 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide is C/N=C(\NCCc1ccccc1Cl)NCc1cc2ccccc2[nH]1.I.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide?
The InChIKey is VINANSSIOZGRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4.HI/c1-21-19(22-11-10-14-6-2-4-8-17(14)20)23-13-16-12-15-7-3-5-9-18(15)24-16;/h2-9,12,24H,10-11,13H2,1H3,(H2,21,22,23);1H.
What are the key properties of 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide?
1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide has a molecular weight of 468.77 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethyl]-3-(1H-indol-2-ylmethyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111882826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).