N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine

C12H18N4 — CID 142663098

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine
SMILESCC1=CCC(NC2=NCCN2)C2=C1NCC2
InChIInChI=1S/C12H18N4/c1-8-2-3-10(9-4-5-13-11(8)9)16-12-14-6-7-15-12/h2,10,13H,3-7H2,1H3,(H2,14,15,16)
InChIKeyZTQDUUHWZWWLNA-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.50
Rot. Bonds1

About N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine (PubChem CID 142663098) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine
PubChem CID142663098
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine
SMILESCC1=CCC(NC2=NCCN2)C2=C1NCC2
InChIInChI=1S/C12H18N4/c1-8-2-3-10(9-4-5-13-11(8)9)16-12-14-6-7-15-12/h2,10,13H,3-7H2,1H3,(H2,14,15,16)
InChIKeyZTQDUUHWZWWLNA-UHFFFAOYSA-N
XLogP0.50
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine (CID 142663098) is N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine is CC1=CCC(NC2=NCCN2)C2=C1NCC2.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine?
The InChIKey is ZTQDUUHWZWWLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-2-3-10(9-4-5-13-11(8)9)16-12-14-6-7-15-12/h2,10,13H,3-7H2,1H3,(H2,14,15,16).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine has a molecular weight of 218.30 g/mol, XLogP of 0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-2,3,4,5-tetrahydro-1H-indol-4-amine is sourced from PubChem (CID 142663098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).