N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

C15H20N4 — CID 120970551

IUPACN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCc1[nH]c2ccc(CNC3=NCCN3C)cc2c1C
InChIInChI=1S/C15H20N4/c1-10-11(2)18-14-5-4-12(8-13(10)14)9-17-15-16-6-7-19(15)3/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeySXZWTRTVXOZKQA-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.18
Rot. Bonds2

About N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine

N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 120970551) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID120970551
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCc1[nH]c2ccc(CNC3=NCCN3C)cc2c1C
InChIInChI=1S/C15H20N4/c1-10-11(2)18-14-5-4-12(8-13(10)14)9-17-15-16-6-7-19(15)3/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeySXZWTRTVXOZKQA-UHFFFAOYSA-N
XLogP2.18
TPSA43.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine (CID 120970551) is N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is Cc1[nH]c2ccc(CNC3=NCCN3C)cc2c1C.
What is the InChIKey of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is SXZWTRTVXOZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-11(2)18-14-5-4-12(8-13(10)14)9-17-15-16-6-7-19(15)3/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine?
N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 256.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethyl-1H-indol-5-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120970551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).