5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole

C11H16N2 — CID 123704736

IUPAC5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
SMILESC=CC(CC)=c1ncn(C)c1=CC
InChIInChI=1S/C11H16N2/c1-5-9(6-2)11-10(7-3)13(4)8-12-11/h5,7-8H,1,6H2,2-4H3
InChIKeyURERIQRLEJWOGE-UHFFFAOYSA-N
MW176.26 g/mol
LogP0.97
Rot. Bonds2

About 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole

5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole (PubChem CID 123704736) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole.

Molecular Properties

Compound Name5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
PubChem CID123704736
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole
SMILESC=CC(CC)=c1ncn(C)c1=CC
InChIInChI=1S/C11H16N2/c1-5-9(6-2)11-10(7-3)13(4)8-12-11/h5,7-8H,1,6H2,2-4H3
InChIKeyURERIQRLEJWOGE-UHFFFAOYSA-N
XLogP0.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(1,5-diethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57037934
N'-(1,5-dimethyl-2H-pyridin-3-yl)-N,N-dimethylmethanimidamide
CID 57257147
3,7-dimethyl-5H-benzimidazol-5-ide;yttrium
CID 59708940
5-(2-Chloro-3-methylpent-2-enylidene)-1-ethyl-4-ethylideneimidazole
CID 123173232
6-ethyl-N,3-dimethyl-N-(4-methylpenta-1,3-dien-2-yl)-7H-cyclohepta[d]imidazol-5-amine
CID 123692248
4-But-3-en-2-ylidene-5-ethylidene-1-methylimidazole
CID 123878865
5-chloro-6-ethyl-3-methyl-7H-cyclohepta[d]imidazole
CID 123904557
5-(2-Chloro-3-methylpent-2-enylidene)-4-ethylidene-1-methylimidazole
CID 123991948
(4E,5E)-5-ethylidene-1-iodo-4-(4-methylpent-1-en-3-ylidene)imidazole
CID 126757787
1-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[(Z)-2-methylbut-2-enyl]-5-methylidene-4H-imidazole
CID 134239526
(8E)-7-but-3-enylidene-8-ethylidene-3,6-dimethyl-4,5-dihydro-1,3,6-triazocine;ethane
CID 141790713
Ethane;1-methyl-5,6-dihydrobenzimidazole
CID 142804358

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole?
The IUPAC name of 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole (CID 123704736) is 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole.
What is the SMILES notation for 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole?
The canonical SMILES for 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole is C=CC(CC)=c1ncn(C)c1=CC.
What is the InChIKey of 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole?
The InChIKey is URERIQRLEJWOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-5-9(6-2)11-10(7-3)13(4)8-12-11/h5,7-8H,1,6H2,2-4H3.
What are the key properties of 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole?
5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole has a molecular weight of 176.26 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-1-methyl-4-pent-1-en-3-ylideneimidazole is sourced from PubChem (CID 123704736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).