4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine

C38H89N9 — CID 159311212

IUPAC4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine
SMILESC1=NCCN1.C1CNCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.c1ccnnc1.c1cncnc1
InChIInChI=1S/C6H13N.2C4H4N2.C3H8N2.C3H6N2.9C2H6/c1-7-5-3-2-4-6-7;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-5-3-4-1;9*1-2/h2-6H2,1H3;2*1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);9*1-2H3
InChIKeyLCOLDXOVIANGSD-UHFFFAOYSA-N
MW672.19 g/mol
LogP10.05
Rot. Bonds

About 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine

4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine (PubChem CID 159311212) has the molecular formula C38H89N9 and a molecular weight of 672.19 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine
PubChem CID159311212
Molecular FormulaC38H89N9
Molecular Weight672.19 g/mol
Exact Mass671.72
IUPAC Name4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine
SMILESC1=NCCN1.C1CNCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.c1ccnnc1.c1cncnc1
InChIInChI=1S/C6H13N.2C4H4N2.C3H8N2.C3H6N2.9C2H6/c1-7-5-3-2-4-6-7;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-5-3-4-1;9*1-2/h2-6H2,1H3;2*1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);9*1-2H3
InChIKeyLCOLDXOVIANGSD-UHFFFAOYSA-N
XLogP10.05
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.19
LogP ≤ 510.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine?
The IUPAC name of 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine (CID 159311212) is 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine?
The canonical SMILES for 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine is C1=NCCN1.C1CNCN1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CN1CCCCC1.c1ccnnc1.c1cncnc1.
What is the InChIKey of 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine?
The InChIKey is LCOLDXOVIANGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.2C4H4N2.C3H8N2.C3H6N2.9C2H6/c1-7-5-3-2-4-6-7;1-2-5-4-6-3-1;1-2-4-6-5-3-1;2*1-2-5-3-4-1;9*1-2/h2-6H2,1H3;2*1-4H;4-5H,1-3H2;3H,1-2H2,(H,4,5);9*1-2H3.
What are the key properties of 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine?
4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine has a molecular weight of 672.19 g/mol, XLogP of 10.05, 0 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;ethane;imidazolidine;1-methylpiperidine;pyridazine;pyrimidine is sourced from PubChem (CID 159311212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).