ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane

C28H45N3 — CID 142052421

IUPACethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane
SMILESC=C.C=C=C.CCC.CCC.CCc1nccc(C)c1C.Cc1nc2ccccc2[nH]1
InChIInChI=1S/C9H13N.C8H8N2.2C3H8.C3H4.C2H4/c1-4-9-8(3)7(2)5-6-10-9;1-6-9-7-4-2-3-5-8(7)10-6;3*1-3-2;1-2/h5-6H,4H2,1-3H3;2-5H,1H3,(H,9,10);2*3H2,1-2H3;1-2H2;1-2H2
InChIKeyDHVHBLMUGFZSKW-UHFFFAOYSA-N
MW423.69 g/mol
LogP8.72
Rot. Bonds1

About ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane

ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane (PubChem CID 142052421) has the molecular formula C28H45N3 and a molecular weight of 423.69 g/mol. Its IUPAC name is ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane.

Molecular Properties

Compound Nameethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane
PubChem CID142052421
Molecular FormulaC28H45N3
Molecular Weight423.69 g/mol
Exact Mass423.36
IUPAC Nameethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane
SMILESC=C.C=C=C.CCC.CCC.CCc1nccc(C)c1C.Cc1nc2ccccc2[nH]1
InChIInChI=1S/C9H13N.C8H8N2.2C3H8.C3H4.C2H4/c1-4-9-8(3)7(2)5-6-10-9;1-6-9-7-4-2-3-5-8(7)10-6;3*1-3-2;1-2/h5-6H,4H2,1-3H3;2-5H,1H3,(H,9,10);2*3H2,1-2H3;1-2H2;1-2H2
InChIKeyDHVHBLMUGFZSKW-UHFFFAOYSA-N
XLogP8.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.69
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1H-benzimidazole
CID 11984
methanamine;2-methyl-1H-benzimidazole
CID 143453689
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875
ethane;2-methyl-1H-benzimidazole;1-methylnaphthalene
CID 153400280
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-(2-ethyl-3-methyl-4-pyridinyl)acetonitrile
CID 84764251
2-[(3-methyl-4-prop-2-enoxy-2-pyridinyl)methylsulfanyl]-1H-benzimidazole
CID 10733824
1-(1H-benzimidazol-2-yl)-2-(4-methoxy-3-methyl-2-pyridinyl)ethanol
CID 166632560
2-[(3-methyl-4-nitroso-2-pyridinyl)methylsulfonyl]-1H-benzimidazole
CID 88979518
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-1H-benzimidazole
CID 169437833
N-(2-ethyl-6-methylphenyl)-1H-benzimidazol-2-amine
CID 923999
2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole
CID 151827175

Frequently Asked Questions

What is the IUPAC name of ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane?
The IUPAC name of ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane (CID 142052421) is ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane.
What is the SMILES notation for ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane?
The canonical SMILES for ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane is C=C.C=C=C.CCC.CCC.CCc1nccc(C)c1C.Cc1nc2ccccc2[nH]1.
What is the InChIKey of ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane?
The InChIKey is DHVHBLMUGFZSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H8N2.2C3H8.C3H4.C2H4/c1-4-9-8(3)7(2)5-6-10-9;1-6-9-7-4-2-3-5-8(7)10-6;3*1-3-2;1-2/h5-6H,4H2,1-3H3;2-5H,1H3,(H,9,10);2*3H2,1-2H3;1-2H2;1-2H2.
What are the key properties of ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane?
ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane has a molecular weight of 423.69 g/mol, XLogP of 8.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-ethyl-3,4-dimethylpyridine;2-methyl-1H-benzimidazole;propa-1,2-diene;propane is sourced from PubChem (CID 142052421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).