4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine

C15H19N3 — CID 123413107

IUPAC4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine
SMILESC=C(C=c1nc(C2CC2)[nH]c1=C)C(=C)/C(C)=N/C
InChIInChI=1S/C15H19N3/c1-9(10(2)11(3)16-5)8-14-12(4)17-15(18-14)13-6-7-13/h8,13H,1-2,4,6-7H2,3,5H3,(H,17,18)/b14-8?,16-11+
InChIKeyUDISAIOURMBTBX-SKTXVDFESA-N
MW241.34 g/mol
LogP1.68
Rot. Bonds4

About 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine

4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine (PubChem CID 123413107) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine.

Molecular Properties

Compound Name4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine
PubChem CID123413107
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine
SMILESC=C(C=c1nc(C2CC2)[nH]c1=C)C(=C)/C(C)=N/C
InChIInChI=1S/C15H19N3/c1-9(10(2)11(3)16-5)8-14-12(4)17-15(18-14)13-6-7-13/h8,13H,1-2,4,6-7H2,3,5H3,(H,17,18)/b14-8?,16-11+
InChIKeyUDISAIOURMBTBX-SKTXVDFESA-N
XLogP1.68
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5E)-2-(cyclopropylmethyl)-5-[(2Z)-2,4-dimethylpenta-2,4-dienylidene]-1,4-dihydroimidazole
CID 89199714
(4E,5E)-4-pentylidene-5-prop-2-enylidene-2-propyl-1H-imidazole
CID 137466850
4-[(4E,5E)-4,5-bis(prop-2-enylidene)-1H-imidazol-2-yl]cyclohepta-1,3,6-trien-1-amine;ethane
CID 143027018
6-methyl-2-propan-2-yl-3a,4-dihydro-1H-benzimidazole
CID 146386647
N'-methyl-N-[(2E,4Z)-4-methylhepta-2,4,6-trien-2-yl]cyclopropanecarboximidamide
CID 167047049
(4E,5E)-4-ethylidene-5-(2-methylbutylidene)-2-prop-1-en-2-yl-1H-imidazole
CID 144356697

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine?
The IUPAC name of 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine (CID 123413107) is 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine.
What is the SMILES notation for 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine?
The canonical SMILES for 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine is C=C(C=c1nc(C2CC2)[nH]c1=C)C(=C)/C(C)=N/C.
What is the InChIKey of 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine?
The InChIKey is UDISAIOURMBTBX-SKTXVDFESA-N. The full InChI is InChI=1S/C15H19N3/c1-9(10(2)11(3)16-5)8-14-12(4)17-15(18-14)13-6-7-13/h8,13H,1-2,4,6-7H2,3,5H3,(H,17,18)/b14-8?,16-11+.
What are the key properties of 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine?
4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine has a molecular weight of 241.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-5-methylidene-1H-imidazol-4-ylidene)methyl]-N-methyl-3-methylidenepent-4-en-2-imine is sourced from PubChem (CID 123413107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).