ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene

C19H25N3 — CID 143200335

IUPACethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene
SMILESC=C.C=CC.C=CC(=C)C/N=C/c1nc2ccccc2n1C
InChIInChI=1S/C14H15N3.C3H6.C2H4/c1-4-11(2)9-15-10-14-16-12-7-5-6-8-13(12)17(14)3;1-3-2;1-2/h4-8,10H,1-2,9H2,3H3;3H,1H2,2H3;1-2H2/b15-10+;;
InChIKeyNNUKBQIBKIVQHQ-OVWKBUNZSA-N
MW295.43 g/mol
LogP4.73
Rot. Bonds4

About ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene

ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene (PubChem CID 143200335) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene.

Molecular Properties

Compound Nameethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene
PubChem CID143200335
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Nameethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene
SMILESC=C.C=CC.C=CC(=C)C/N=C/c1nc2ccccc2n1C
InChIInChI=1S/C14H15N3.C3H6.C2H4/c1-4-11(2)9-15-10-14-16-12-7-5-6-8-13(12)17(14)3;1-3-2;1-2/h4-8,10H,1-2,9H2,3H3;3H,1H2,2H3;1-2H2/b15-10+;;
InChIKeyNNUKBQIBKIVQHQ-OVWKBUNZSA-N
XLogP4.73
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 18173
1-(1-methylbenzimidazol-2-yl)-N-[2-(2-trimethylsilyloxyphenyl)ethyl]methanimine
CID 90462876
3-(1-methylbenzimidazol-2-yl)prop-2-enoic acid
CID 593912
2-bromo-N-[(1-methylbenzimidazol-2-yl)methylideneamino]benzamide
CID 1349987
1-methyl-2-[(3Z,5Z)-octa-1,3,5-trien-2-yl]benzimidazole
CID 89067951
1-(1-methylbenzimidazol-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)methanimine
CID 58884442
1-methyl-2-[2-(4-methylphenyl)ethenyl]benzimidazole
CID 54355497
2-[2-(4-fluorophenyl)ethenyl]-1-methylbenzimidazole
CID 2930485
(NE)-N-[(1-ethylbenzimidazol-2-yl)methylidene]hydroxylamine
CID 136636081
1-(1-methylbenzimidazol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)methanimine
CID 58884452
4-[[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
CID 2318490
N-benzyl-1-(1-ethylbenzimidazol-2-yl)methanimine
CID 921503

Frequently Asked Questions

What is the IUPAC name of ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene?
The IUPAC name of ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene (CID 143200335) is ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene.
What is the SMILES notation for ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene?
The canonical SMILES for ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene is C=C.C=CC.C=CC(=C)C/N=C/c1nc2ccccc2n1C.
What is the InChIKey of ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene?
The InChIKey is NNUKBQIBKIVQHQ-OVWKBUNZSA-N. The full InChI is InChI=1S/C14H15N3.C3H6.C2H4/c1-4-11(2)9-15-10-14-16-12-7-5-6-8-13(12)17(14)3;1-3-2;1-2/h4-8,10H,1-2,9H2,3H3;3H,1H2,2H3;1-2H2/b15-10+;;.
What are the key properties of ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene?
ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene has a molecular weight of 295.43 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(1-methylbenzimidazol-2-yl)-N-(2-methylidenebut-3-enyl)methanimine;prop-1-ene is sourced from PubChem (CID 143200335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).