4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline

C15H19N7 — CID 174782516

IUPAC4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline
SMILESNC1=NCCN1.Nc1ncc[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C3H7N3.C3H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;2*4-3-5-1-2-6-3/h1-7H;1-2H2,(H3,4,5,6);1-2H,(H3,4,5,6)
InChIKeyUMCFDQDJRJWQIF-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.13
Rot. Bonds

About 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline

4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline (PubChem CID 174782516) has the molecular formula C15H19N7 and a molecular weight of 297.37 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline
PubChem CID174782516
Molecular FormulaC15H19N7
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline
SMILESNC1=NCCN1.Nc1ncc[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C9H7N.C3H7N3.C3H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;2*4-3-5-1-2-6-3/h1-7H;1-2H2,(H3,4,5,6);1-2H,(H3,4,5,6)
InChIKeyUMCFDQDJRJWQIF-UHFFFAOYSA-N
XLogP1.13
TPSA118.00 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

quinoline
CID 76974643
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CID 161171284
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quinoline;silver
CID 88761492
osmium(2+);quinoline
CID 158407120
CID 175273158
CID 175273158
hydron;quinoline
CID 131854096
CID 159709187
CID 159709187
platinum(2+);quinoline
CID 50910245
N,N-dimethylmethanamine;quinoline
CID 174404526
quinoline;titanium;hydrate
CID 174714429
quinoline;quinoxaline
CID 66672759

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline (CID 174782516) is 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline is NC1=NCCN1.Nc1ncc[nH]1.c1ccc2ncccc2c1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline?
The InChIKey is UMCFDQDJRJWQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H7N3.C3H5N3/c1-2-6-9-8(4-1)5-3-7-10-9;2*4-3-5-1-2-6-3/h1-7H;1-2H2,(H3,4,5,6);1-2H,(H3,4,5,6).
What are the key properties of 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline?
4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline has a molecular weight of 297.37 g/mol, XLogP of 1.13, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-amine;1H-imidazol-2-amine;quinoline is sourced from PubChem (CID 174782516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).