N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C15H21IN4 — CID 120972530

IUPACN-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1c(CNC2=NCCN2C)n(C)c2ccccc12.I
InChIInChI=1S/C15H20N4.HI/c1-11-12-6-4-5-7-13(12)19(3)14(11)10-17-15-16-8-9-18(15)2;/h4-7H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyVJTAMPAFQAGLHP-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.50
Rot. Bonds2

About N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972530) has the molecular formula C15H21IN4 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972530
Molecular FormulaC15H21IN4
Molecular Weight384.27 g/mol
Exact Mass384.08
IUPAC NameN-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCc1c(CNC2=NCCN2C)n(C)c2ccccc12.I
InChIInChI=1S/C15H20N4.HI/c1-11-12-6-4-5-7-13(12)19(3)14(11)10-17-15-16-8-9-18(15)2;/h4-7H,8-10H2,1-3H3,(H,16,17);1H
InChIKeyVJTAMPAFQAGLHP-UHFFFAOYSA-N
XLogP2.50
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824
2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine
CID 107236049
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
2-[(1,3-dimethylindol-2-yl)methylamino]butan-1-ol
CID 107234805
N-[(1,3-dimethylindol-2-yl)methyl]-4-methylsulfanylaniline
CID 107234573
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350
N-[(1,3-dimethylindol-2-yl)methyl]-1-phenylmethanamine
CID 107234543
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
4-bromo-3-chloro-N-[(1,3-dimethylindol-2-yl)methyl]aniline
CID 107618887
1-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972062
N-[(1,3-dimethylindol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 107234763
N-[(1,3-dimethylindol-2-yl)methyl]-2,2-dimethylbutan-1-amine
CID 107236351

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972530) is N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is Cc1c(CNC2=NCCN2C)n(C)c2ccccc12.I.
What is the InChIKey of N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is VJTAMPAFQAGLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4.HI/c1-11-12-6-4-5-7-13(12)19(3)14(11)10-17-15-16-8-9-18(15)2;/h4-7H,8-10H2,1-3H3,(H,16,17);1H.
What are the key properties of N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 384.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylindol-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).